Synthesis, Crystal Structure, and DFT Study of Ethyl 1-(2-(Hydroxyimino)-2-phenylethyl)-3-phenyl-1H-pyrazole-5-carboxylate

Table 5

The composition (%) of atomic orbitals in HOMO or LUMO of molecule.

Atom	HOMO percentage	LUMO percentage
N1	7.00%	13.94%
N3	11.41%	11.12%
N8	0.88%	0.75%
C9	0.52%	0.96%
C10	2.26%	11.37%
C29	8.81%	0.92%
C11	11.02%	0.66%
C14	8.30%	12.51%
O16	0.61%	13.50%
H22	0.88%	1.07%
C33	3.25%	0.76%