Geometry & MOs

Info

ID:	166008
PubChem CID:	74625992
Reduced:	ON3C23H29 (1)
Stoich.:	AB3C23D29 (1)
Weight, g/mol:	432.08487
ΔH_f, kcal/mol:	-0.29
Dipole, Da:	3.95
IP(EA), eV:	-7.71(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3-bromophenyl)-1-[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]prop-2-en-1-one

Drug info:

PubChemData

Smile

CCN1CCN(CC1)C2=CC(=C(C=C2)NC(=O)C=CC3=CC=C(C=C3)C)C

DOS

IR

Vibrations