Geometry & MOs

Info

ID:	196867
PubChem CID:	78889144
Reduced:	ClN2O2H15C18 (1)
Stoich.:	AB2C2D15E18 (1)
Weight, g/mol:	336.147393
ΔH_f, kcal/mol:	-0.55
Dipole, Da:	4.17
IP(EA), eV:	-9.18(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-2-cyano-3-(3-ethoxyphenyl)-N-(4-ethoxyphenyl)prop-2-enamide

Drug info:

PubChemData

Smile

CCOC1=CC=CC(=C1)/C=C(/C#N)\C(=O)NC2=CC=CC=C2Cl

DOS

IR

Vibrations