Geometry & MOs

Info

ID:	337713
PubChem CID:	127258336
Reduced:	BrNO3C14H16 (1)
Stoich.:	ABC3D14E16 (1)
Weight, g/mol:	281.081871
ΔH_f, kcal/mol:	-104.43
Dipole, Da:	8.06
IP(EA), eV:	-8.62(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2E)-N-(5-chloro-2-methylphenyl)-2-(ethoxymethylidene)-3-oxobutanamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations