Abstract: Indane-1,3 dione derivative entitled 2-Hydroxy-2-(3-oxobutan-2-yl)indan-1,3 dione C13H12O4 [NIAC]was examined. The compound's equilibrium geometry has been derived and examined using the DFT-B3LYP/LANL2DZ approach. FT-IR analysis was employed to recognize the different functional groups, and the results are compared with the experimental and simulated spectra.Theoretical examination was performed employing.....
Keywords: Indane-1,3 dioneC13H12O4 [NIAC]., ADMET; DFT; HOMO-LUMO, MESP
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