Geometry & MOs

Info

ID:	337708
PubChem CID:	127258331
Reduced:	BrNO3C14H16 (1)
Stoich.:	ABC3D14E16 (1)
Weight, g/mol:	311.01571
ΔH_f, kcal/mol:	-107.0
Dipole, Da:	9.02
IP(EA), eV:	-8.6(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2E)-N-(4-bromophenyl)-2-(ethoxymethylidene)-3-oxobutanamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations