Geometry & MOs

Info

ID:	6927
PubChem CID:	70534
Reduced:	NO2H7C10 (1)
Stoich.:	AB2C7D10 (1)
Weight, g/mol:	173.047678
ΔH_f, kcal/mol:	-10.17
Dipole, Da:	4.11
IP(EA), eV:	-10.25(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-cyano-3-phenylprop-2-enoic acid

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C=C(C#N)C(=O)O

DOS

IR

Vibrations