Geometry & MOs

Info

ID:	4694
PubChem CID:	11880
Reduced:	N2H4O6C7 (1)
Stoich.:	A2B4C6D7 (1)
Weight, g/mol:	212.006936
ΔH_f, kcal/mol:	-57.1
Dipole, Da:	2.92
IP(EA), eV:	-11.8(-2.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,4-dinitrobenzoic acid

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations