Geometry & MOs

Info

ID:	397035
PubChem CID:	135029630
Reduced:	BrNO2H14C17 (1)
Stoich.:	ABC2D14E17 (1)
Weight, g/mol:	299.071306
ΔH_f, kcal/mol:	-16.83
Dipole, Da:	1.96
IP(EA), eV:	-9.66(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(Z)-1-(2-chlorophenyl)-3-oxo-3-phenylprop-1-enyl]acetamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations