Molecular structure, spectroscopic, quantum chemical, topological, molecular docking and antimicrobial activity of 3-(4-Chlorophenyl)-5-[4-propan-2-yl) phenyl-4, 5-dihydro-1H-pyrazol-1-yl] (pyridin-4-yl) methanone
C. Sivakumar, B.K. Revathi, V. Balachandran, B. Narayana, Vinutha V. Salian, N. Shanmugapriya, K. Vanasundari
Topics & Concepts
ChemistryNatural bond orbitalHOMO/LUMOMoleculeDelocalized electronDensity functional theoryComputational chemistryAtoms in moleculesDocking (animal)Conjugated systemMolecular geometryMolecular orbitalPolymerOrganic chemistryMedicineNursingNonlinear Optical Materials ResearchSynthesis and biological activitySynthesis and Characterization of Heterocyclic Compounds