Geometry & MOs

Info

ID:	22430
PubChem CID:	597187
Reduced:	ClNO5H8C13 (1)
Stoich.:	ABC5D8E13 (1)
Weight, g/mol:	293.0091
ΔH_f, kcal/mol:	-83.62
Dipole, Da:	4.15
IP(EA), eV:	-10.0(-1.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-chlorophenoxy)-5-nitrobenzoic acid

Drug info:

PubChemData

Smile

C1=CC(=CC=C1OC2=C(C=C(C=C2)[N+](=O)[O-])C(=O)O)Cl

DOS

IR

Vibrations