Geometry & MOs

Info

ID:	2722
PubChem CID:	8377
Reduced:	ClN2H3O6C7 (1)
Stoich.:	AB2C3D6E7 (1)
Weight, g/mol:	245.967963
ΔH_f, kcal/mol:	-62.44
Dipole, Da:	2.12
IP(EA), eV:	-11.38(-2.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-3,5-dinitrobenzoic acid

Drug info:

PubChemData

Smile

C1=C(C=C(C(=C1[N+](=O)[O-])Cl)[N+](=O)[O-])C(=O)O

DOS

IR

Vibrations