Geometry & MOs

Info

ID:	21911
PubChem CID:	593617
Reduced:	ON3H11C13 (1)
Stoich.:	AB3C11D13 (1)
Weight, g/mol:	225.090212
ΔH_f, kcal/mol:	50.91
Dipole, Da:	3.31
IP(EA), eV:	-10.08(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-cyanoethyl)-3-(4-cyanophenyl)prop-2-enamide

Drug info:

PubChemData

Smile

C1=CC(=CC=C1C=CC(=O)NCCC#N)C#N

DOS

IR

Vibrations