Geometry & MOs

Info

ID:	10332
PubChem CID:	100567
Reduced:	OF2N2C20H20 (1)
Stoich.:	AB2C2D20E20 (1)
Weight, g/mol:	342.15437
ΔH_f, kcal/mol:	-71.69
Dipole, Da:	3.99
IP(EA), eV:	-8.92(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-fluorophenyl)-3-[4-(4-fluorophenyl)piperazin-1-yl]but-2-en-1-one

Drug info:

PubChemData

Smile

CC(=CC(=O)C1=CC=C(C=C1)F)N2CCN(CC2)C3=CC=C(C=C3)F

DOS

IR

Vibrations