The spectral characterization of 6-Chloro-N-(3-iodo-4-methylphenyl)-pyrazine-2-carboxamide (CIMPPC) was executed by FT-IR and FT-Raman spectroscopic {methods|techniques|strategies|approaches|procedures|solutions} and density functional theory (DFT) computations {have been|happen to be|have already been} carried {using|utilizing|making use of|employing|working with|applying} B3LYP/gen {method|technique|approach|strategy|system|process}. {On the|Around the} basis of {potential|possible|prospective} {energy|power} distribution (PED) the vibrational assignments {of the|from the|in the|on the|with the|of your} wavenumbers {were|had been|have been} proposed. NBO {analysis|evaluation} was performed to study donor acceptor interactions. Halogen substitution {results|outcomes|final results|benefits} in {increase|improve|boost|enhance|raise} {in the|within the|inside the} ยต (chemical {potential|possible|prospective}) {value|worth} in comparison {with the|using the|with all the|together with the} parent molecule, {which is|that is|which can be} a minimum. Halogen substitution also {results|outcomes|final results|benefits} a {decrease|reduce|lower} in electrophilicity index. {Fundamental|Basic} reactive properties {of the|from the|in the|on the|with the|of your} title molecule is investigated by MEP {analysis|evaluation}. Visualization of ALIE and Fukui functions evaluated {the most|probably the most|essentially the most|one of the most|by far the most} probable {sites|websites|web sites|internet sites|web-sites|web pages} for electrophilic attacks. Exposure {of the|from the|in the|on the|with the|of your} title compound towards autoxidation and hydrolysis is evaluated {using|utilizing|making use of|employing|working with|applying} BDE and RDF. The compatible nature {of the|from the|in the|on the|with the|of your} compound is investigated {through|via|by means of|by way of} the Hildebrand solubility parameter. CIMPPC exhibit inhibitory activity against the anti-inflammatory receptor transient receptor {potential|possible|prospective} cation channel. 549531-11-5 site 5-Bromo-7-fluoro-1H-indazole In stock PMID:24187611
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