Geometry & MOs

Info

ID:	337706
PubChem CID:	127258329
Reduced:	ClNO3C13H14 (1)
Stoich.:	ABC3D13E14 (1)
Weight, g/mol:	258.100442
ΔH_f, kcal/mol:	-108.66
Dipole, Da:	8.08
IP(EA), eV:	-8.8(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2E)-N-(3-cyanophenyl)-2-(ethoxymethylidene)-3-oxobutanamide

Drug info:

PubChemData

Smile

CCO/C=C(\C(=O)C)/C(=O)NC1=CC(=CC=C1)Cl

DOS

IR

Vibrations