Geometry & MOs

Info

ID:	337692
PubChem CID:	127258315
Reduced:	NCl2O3C13H13 (1)
Stoich.:	AB2C3D13E13 (1)
Weight, g/mol:	261.136493
ΔH_f, kcal/mol:	-115.48
Dipole, Da:	9.17
IP(EA), eV:	-8.71(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2E)-N-(2,4-dimethylphenyl)-2-(ethoxymethylidene)-3-oxobutanamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations