Geometry & MOs

Info

ID:	397029
PubChem CID:	135029623
Reduced:	BrNO2H14C17 (1)
Stoich.:	ABC2D14E17 (1)
Weight, g/mol:	279.125929
ΔH_f, kcal/mol:	-17.44
Dipole, Da:	5.65
IP(EA), eV:	-9.58(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(Z)-3-(4-methylphenyl)-3-oxo-1-phenylprop-1-enyl]acetamide

Drug info:

PubChemData

Smile

CC(=O)N/C(=C\C(=O)C1=CC=C(C=C1)Br)/C2=CC=CC=C2

DOS

IR

Vibrations