Geometry & MOs

Info

ID:	25072
PubChem CID:	618470
Reduced:	NOC7H8 (2)
Stoich.:	ABC7D8 (2)
Weight, g/mol:	244.121178
ΔH_f, kcal/mol:	-41.54
Dipole, Da:	5.75
IP(EA), eV:	-9.04(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-cyano-3-(4-ethylanilino)prop-2-enoate

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)NC=C(C#N)C(=O)OCC

DOS

IR

Vibrations