Geometry & MOs

Info

ID:	31801
PubChem CID:	3718757
Reduced:	N5O6H9C15 (1)
Stoich.:	A5B6C9D15 (1)
Weight, g/mol:	326.065119
ΔH_f, kcal/mol:	31.99
Dipole, Da:	4.12
IP(EA), eV:	-9.41(-1.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-hydroxy-N-[(2-hydroxy-5-nitro-1H-indol-3-yl)imino]benzamide

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)C(=O)N=NC2=C(NC3=C2C=C(C=C3)[N+](=O)[O-])O)[N+](=O)[O-]

DOS

IR

Vibrations