Geometry & MOs

Info

ID:	165546
PubChem CID:	74564164
Reduced:	BrO2N3C13H15 (1)
Stoich.:	AB2C3D13E15 (1)
Weight, g/mol:	369.03644
ΔH_f, kcal/mol:	-48.08
Dipole, Da:	2.18
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.754723
Charge, e:	0

Chem-info

IUPAC name:

N-[4-[3-(4-bromophenyl)-3-oxoprop-1-enyl]phenyl]-2-methylprop-2-enamide

Drug info:

PubChemData

Smile

CN1C(=O)C(C=[N+](C1=O)C)CNC2=CC=CC=C2Br

DOS

IR

Vibrations