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The Hirshfeld surfaces like di,de,dnorm, shape index and curvedness of C18H18NOCl were pictured and discussed. The various levels of electronic transitions have been predicted by Time-Dependent Density Functional Theory (TD-DFT) calculations and compared with the recorded absorption spectrum. Molecular docking study was performed and reported for the synthesized compound against 4ey7 protein. Pb2+ and Cd2+ are the most ubiquitous heavy metal ion pollutants, and they have aroused much attention due to their irreversible and significant d
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