Table 2. The global reactivity descriptors (eV) of the title compound.

Frontier mol­ecular orbitals	Energy
E HOMO	−5.8915
E LUMO	−1.9353
E HOMO−1	−6.2499
E LUMO+1	−1.0419
(E HOMO − E LUMO) gap	3.9562
(E HOMO−1 − E LUMO+1) gap	5.2080
Chemical potential (μ)	3.9134
Chemical hardness (η)	1.9781
Chemical softness (S)	0.5055
Electrophilicity index (ω)	3.8711