Molecular structure, spectral, computational, IEFPCM investigation, and topological study on the biologically potent; cardiotonic drug 2-chloroquinolin-3-amine with structural optimization

Molecular structure, spectral, computational, IEFPCM investigation, and topological study on the biologically potent; cardiotonic drug 2-chloroquinolin-3-amine with structural optimization

The current study provides a detailed DFT analysis of the drug 2-Chloroquinolin-3-amine, which has biological potential as a cardiotonic (2CQ3A). The molecular structure is theoretically optimised using DFT with the basis set B3LYP/6–311++G(d,p), and parameters were measured .Potential energy distri...

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Podrobná bibliografie
Hlavní autoři: A. Saral, R. Shahidha, M. Thirunavukkarasu, S. Muthu
Médium: Článek
Jazyk:English
Vydáno: Elsevier 2023-06-01
Edice:Chemical Physics Impact
Témata:
Cardiotonic
Solvent analysis
DFT
UV–Vis
Topology
Docking
On-line přístup:http://www.sciencedirect.com/science/article/pii/S2667022423000336

Internet

http://www.sciencedirect.com/science/article/pii/S2667022423000336

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