Geometry & MOs

Info

ID:	337707
PubChem CID:	127258330
Reduced:	N2O3C14H14 (1)
Stoich.:	A2B3C14D14 (1)
Weight, g/mol:	325.03136
ΔH_f, kcal/mol:	-66.86
Dipole, Da:	11.21
IP(EA), eV:	-8.99(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2E)-N-(4-bromo-3-methylphenyl)-2-(ethoxymethylidene)-3-oxobutanamide

Drug info:

PubChemData

Smile

CCO/C=C(\C(=O)C)/C(=O)NC1=CC=CC(=C1)C#N

DOS

IR

Vibrations