Geometry & MOs

Info

ID:	7700
PubChem CID:	73758
Reduced:	N2O5H8C9 (1)
Stoich.:	A2B5C8D9 (1)
Weight, g/mol:	224.043321
ΔH_f, kcal/mol:	-117.25
Dipole, Da:	5.8
IP(EA), eV:	-10.23(-1.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-acetamido-3-nitrobenzoic acid

Drug info:

PubChemData

Smile

CC(=O)NC1=C(C=C(C=C1)C(=O)O)[N+](=O)[O-]

DOS

IR

Vibrations