Geometry & MOs

Info

ID:	373855
PubChem CID:	131320695
Reduced:	N2O3C10H10 (1)
Stoich.:	A2B3C10D10 (1)
Weight, g/mol:	203.058243
ΔH_f, kcal/mol:	-33.29
Dipole, Da:	9.92
IP(EA), eV:	-8.48(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-cyano-2-propanoylbenzoic acid

Drug info:

PubChemData

Smile

C1=CC(=C2C=C(NO2)N)C(=O)C(=C1)CO

DOS

IR

Vibrations