Geometry & MOs

Info

ID:	268075
PubChem CID:	103597706
Reduced:	ClN3O3C19H20 (1)
Stoich.:	AB3C3D19E20 (1)
Weight, g/mol:	350.163043
ΔH_f, kcal/mol:	-55.91
Dipole, Da:	2.51
IP(EA), eV:	-8.62(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-(cyanomethoxy)phenyl]-N-[1-(4-ethoxyphenyl)ethyl]prop-2-enamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)NC(=O)C(C)ON=CC(=O)NC2=CC=CC=C2Cl)C

DOS

IR

Vibrations