Geometry & MOs

Info

ID:	4689
PubChem CID:	11873
Reduced:	N2H4C7O7 (1)
Stoich.:	A2B4C7D7 (1)
Weight, g/mol:	228.00185
ΔH_f, kcal/mol:	-112.59
Dipole, Da:	3.74
IP(EA), eV:	-11.49(-2.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-hydroxy-3,5-dinitrobenzoic acid

Drug info:

PubChemData

Smile

C1=C(C=C(C(=C1C(=O)O)O)[N+](=O)[O-])[N+](=O)[O-]

DOS

IR

Vibrations