Geometry & MOs

Info

ID:	337701
PubChem CID:	127258324
Reduced:	NCl2O3C13H13 (1)
Stoich.:	AB2C3D13E13 (1)
Weight, g/mol:	311.01571
ΔH_f, kcal/mol:	-118.57
Dipole, Da:	9.73
IP(EA), eV:	-9.06(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations