Geometry & MOs

Info

ID:	374892
PubChem CID:	131349676
Reduced:	NO2H4C5 (2)
Stoich.:	AB2C4D5 (2)
Weight, g/mol:	220.048407
ΔH_f, kcal/mol:	-45.08
Dipole, Da:	5.27
IP(EA), eV:	-10.65(-1.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-cyano-5-methyl-4-nitrophenyl)acetic acid

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations