Corrosion Inhibition of Mild Steel in Acidic Media by 5′-Phenyl-2′,4′-dihydrospiro[indole-3,3′-pyrazol]-2(1H)-one

Table 7

Quantum chemical parameters obtained by Spartan’06.

Quantum chemical parameters	SPAH
Molecular formula	C16H13N3O
Total energy (a.u)	−856.984
𝐸HOMO (eV)	−5.32
𝐸LUMO (eV)	−0.92
Δ𝐸 (𝐸LUMO−𝐸HOMO) (eV)	4.4
Dipole moment (μ) (D)	4.68
Molecular weight (amu)	263.300
Polarizability	62.02
Cosmo area (Å^2)	281.24
Cosmo volume (Å^3)	267.31
Global hardness (η)	2.20
Global softness (σ)	0.45
Electronegativity (χ)	3.12