Geometry & MOs

Info

ID:

166769

PubChem CID:

74732166

Reduced:

N3O7H16C24 (1)

Stoich.:

A3B7C16D24 (1)

Weight, g/mol:

433.059124

ΔHf, kcal/mol:

6.58

Dipole, Da:

4.52

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.768651

Charge, e:

 -1

Chem-info

IUPAC name:

(4-chlorophenyl)-[2-(3-nitrophenyl)-4,5-dioxo-1-phenylpyrrolidin-3-ylidene]methanolate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CN2C(C(=C(C3=CC=C(C=C3)[N+](=O)[O-])[O-])C(=O)C2=O)C4=CC=C(C=C4)[N+](=O)[O-]

DOS

IR

Vibrations