Geometry & MOs

Info

ID:	337694
PubChem CID:	127258317
Reduced:	NBr2O3C13H13 (1)
Stoich.:	AB2C3D13E13 (1)
Weight, g/mol:	301.027249
ΔH_f, kcal/mol:	-96.15
Dipole, Da:	8.01
IP(EA), eV:	-8.9(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2E)-N-(2,5-dichlorophenyl)-2-(ethoxymethylidene)-3-oxobutanamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations