Geometry & MOs

Info

ID:	805
PubChem CID:	3378
Reduced:	FNC13H13 (2)
Stoich.:	ABC13D13 (2)
Weight, g/mol:	404.206405
ΔH_f, kcal/mol:	-2.31
Dipole, Da:	2.66
IP(EA), eV:	-8.86(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[bis(4-fluorophenyl)methyl]-4-(3-phenylprop-2-enyl)piperazine

Drug info:

PubChemData

Smile

C1CN(CCN1CC=CC2=CC=CC=C2)C(C3=CC=C(C=C3)F)C4=CC=C(C=C4)F

DOS

IR

Vibrations