Geometry & MOs

Info

ID:	337696
PubChem CID:	127258319
Reduced:	ClN3O3C10H10 (1)
Stoich.:	AB3C3D10E10 (1)
Weight, g/mol:	267.066221
ΔH_f, kcal/mol:	-16.76
Dipole, Da:	5.07
IP(EA), eV:	-8.8(-1.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C/C(=C(\C(=O)NC1=CC=CC=C1Cl)/N=O)/NO

DOS

IR

Vibrations