Geometry & MOs

Info

ID:	337709
PubChem CID:	127258332
Reduced:	BrNO3C13H14 (1)
Stoich.:	ABC3D13E14 (1)
Weight, g/mol:	281.081871
ΔH_f, kcal/mol:	-96.62
Dipole, Da:	9.31
IP(EA), eV:	-8.66(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations