Geometry & MOs

Info

ID:	337720
PubChem CID:	127258343
Reduced:	ClON3C16H20 (1)
Stoich.:	ABC3D16E20 (1)
Weight, g/mol:	359.092436
ΔH_f, kcal/mol:	-5.01
Dipole, Da:	5.89
IP(EA), eV:	-8.59(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2E)-N-[4-(4-chlorophenoxy)phenyl]-2-(ethoxymethylidene)-3-oxobutanamide

Drug info:

PubChemData

Smile

CCCC(=O)NC1=CC(=CC=C1)N(CCC#N)C/C=C/Cl

DOS

IR

Vibrations