Synthesis, spectroscopic (FT-IR, FT-Raman, NMR & UV-Vis), reactive (ELF, LOL, Fukui), drug likeness and molecular docking insights on novel 4-[3-(3-methoxy-phenyl)-3-oxo-propenyl]-benzonitrile by experimental and computational methods
Shivaraj B. Radder, Raveendra Melavanki, Sudhir M. Hiremath, Raviraj Kusanur, Seema S. Khemalapure, S. Jeyaseelan
Abstract
receptors has been performed using molecular docking studies.
Topics & Concepts
Natural bond orbitalChemistryChemical shiftMoleculeComputational chemistryDocking (animal)Proton NMRPropenylDensity functional theoryCarbon-13 NMRBasis setBenzonitrileRaman spectroscopyHyperpolarizabilityStereochemistryPhysical chemistryOrganic chemistryPolarizabilityMedicineOpticsPhysicsNursingNonlinear Optical Materials ResearchSynthesis and biological activityMetal complexes synthesis and properties