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Synthesis, vibrational spectra, Hirshfeld surface analysis, DFT calculations, and in silico ADMET study of 3-(2-chloroethyl)-2,6-bis(4-fluorophenyl)piperidin-4-one: A potent anti-Alzheimer agent

Arulraj Ramalingam, Ahlam Roufieda Guerroudj, Sivakumar Sambandam, Anitha Kumar, Rajkumar Krishnamoorthy, Nourdine Boukabcha, Abdelkader Chouaıh, Manikandan Elayaperumal

2022Journal of Molecular Structure40 citationsDOI

Topics & Concepts

ChemistryBasis setDensity functional theoryMoleculeRaman spectroscopyComputational chemistryHOMO/LUMOSolvationPhysical chemistryOrganic chemistryOpticsPhysicsNonlinear Optical Materials ResearchSynthesis and biological activityComputational Drug Discovery Methods
Synthesis, vibrational spectra, Hirshfeld surface analysis, DFT calculations, and in silico ADMET study of 3-(2-chloroethyl)-2,6-bis(4-fluorophenyl)piperidin-4-one: A potent anti-Alzheimer agent | Litcius