Synthesis, X-ray structure analysis, thermodynamic and electronic properties of 4-acetamido benzaldehyde using vibrational spectroscopy and DFT calculations
A detailed Optimized geometrical parameters of XRD and theoretical values of 4ABA were reported. HOMO and LUMO analysis were also performed by DFT. Kinetic and thermodynamic stabilities of the molecules were determined. The condensed Fukui functions and condensed local softness indices were calculated.