Geometry & MOs

Info

ID:	19118
PubChem CID:	554974
Reduced:	BrNOH16C17 (1)
Stoich.:	ABCD16E17 (1)
Weight, g/mol:	329.04153
ΔH_f, kcal/mol:	31.61
Dipole, Da:	6.61
IP(EA), eV:	-8.36(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-bromophenyl)-3-[4-(dimethylamino)phenyl]prop-2-en-1-one

Drug info:

PubChemData

Smile

CN(C)C1=CC=C(C=C1)C=CC(=O)C2=CC=C(C=C2)Br

DOS

IR

Vibrations