Spectroscopic (FT-IR, FT-Raman) investigation, topological (QTAIM, RDG, ELF) analysis, drug-likeness and anti-inflammatory activity study on 2-methylaminobenzoic acid alkaloid
J. Priscilla, D. Arul Dhas, I. Hubert Joe, S. Balachandran
Topics & Concepts
Natural bond orbitalChemistryAtoms in moleculesHydrogen bondIntramolecular forceMoleculeComputational chemistryDensity functional theoryConformational isomerismDimerStereochemistryOrganic chemistryNonlinear Optical Materials ResearchSynthesis and biological activityComputational Drug Discovery Methods