Geometry & MOs

Info

ID:	18253
PubChem CID:	539185
Reduced:	NOH3C4 (6)
Stoich.:	ABC3D4 (6)
Weight, g/mol:	486.128782
ΔH_f, kcal/mol:	75.8
Dipole, Da:	2.1
IP(EA), eV:	-9.35(-2.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[[3-(4-acetylphenyl)imino-7-(dihydroxyamino)-6-nitroquinoxalin-2-ylidene]amino]phenyl]ethanone

Drug info:

PubChemData

Smile

CC(=O)C1=CC=C(C=C1)N=C2C(=NC3=CC=C(C=C3)C(=O)C)N=C4C=C(C(=CC4=N2)N(O)O)[N+](=O)[O-]

DOS

IR

Vibrations