Geometry & MOs

Info

ID:	197430
PubChem CID:	78965649
Reduced:	O2N5C13H13 (1)
Stoich.:	A2B5C13D13 (1)
Weight, g/mol:	277.06987
ΔH_f, kcal/mol:	73.22
Dipole, Da:	11.81
IP(EA), eV:	-9.36(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(4-cyano-2-nitroanilino)-5-oxopentanoic acid

Drug info:

PubChemData

Smile

CCN1C=CN=C1CNC2=C(C=C(C=C2)C#N)[N+](=O)[O-]

DOS

IR

Vibrations