Geometry & MOs

Info

ID:	4807
PubChem CID:	12069
Reduced:	NH5O6C8 (1)
Stoich.:	AB5C6D8 (1)
Weight, g/mol:	211.011687
ΔH_f, kcal/mol:	-138.95
Dipole, Da:	1.1
IP(EA), eV:	-11.8(-2.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-nitrobenzene-1,3-dicarboxylic acid

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations