Geometry & MOs

Info

ID:	426028
PubChem CID:	135135024
Reduced:	Cl2N2O3C13H13 (1)
Stoich.:	A2B2C3D13E13 (1)
Weight, g/mol:	320.08826
ΔH_f, kcal/mol:	-19.73
Dipole, Da:	4.62
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.227419
Charge, e:	1

Chem-info

IUPAC name:

[2-(carboxymethoxy)-6-(hydroxyamino)phenyl]-(5-hydroxyiminocyclohexa-1,3-dien-1-yl)-oxoazanium

Drug info:

PubChemData

Smile

CO/[N+](=C\1/CC=CC=C1O)/C2=CC(=C(C=C2NO)Cl)Cl

DOS

IR

Vibrations