Table 8. DFT Molecular Orbital Energy Calculations.

	energy
DFT analysis	MDC	ADC
dipole moment	6.24 D	8.46 D
E (HOMO)	–6.30 eV	–6.65 eV
E (LUMO)	–2.76 eV	–2.68 eV
ΔE (HOMO–LUMO)	3.54 eV	3.96 eV
electronegativity (χ)	4.53	4.67
chemical potential (μ)	–4.53	–4.67
global hardness (η)	1.7	1.9
softness (σ)	0.28	0.50
global electrophilicity index (ω)	5.79	5.50