Geometry & MOs

Info

ID:	144903
PubChem CID:	53429965
Reduced:	NO3H4C6 (2)
Stoich.:	AB3C4D6 (2)
Weight, g/mol:	278.053886
ΔH_f, kcal/mol:	-82.12
Dipole, Da:	2.48
IP(EA), eV:	-10.64(-1.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-cyano-3-methyl-2-nitrophenyl)-2-methylpropanedioic acid

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1[N+](=O)[O-])C(C)(C(=O)[O-])C(=O)[O-])C#N

DOS

IR

Vibrations