Geometry & MOs

Info

ID:	4693
PubChem CID:	11879
Reduced:	N2H4O6C7 (1)
Stoich.:	A2B4C6D7 (1)
Weight, g/mol:	212.006936
ΔH_f, kcal/mol:	-56.72
Dipole, Da:	4.47
IP(EA), eV:	-11.74(-2.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,5-dinitrobenzoic acid

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations