Geometry & MOs

Info

ID:	374891
PubChem CID:	131349675
Reduced:	NO2H4C5 (2)
Stoich.:	AB2C4D5 (2)
Weight, g/mol:	220.048407
ΔH_f, kcal/mol:	-42.25
Dipole, Da:	4.8
IP(EA), eV:	-10.57(-1.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations