Geometry & MOs

Info

ID:	19811
PubChem CID:	573237
Reduced:	N2F4C19H20 (1)
Stoich.:	A2B4C19D20 (1)
Weight, g/mol:	352.156261
ΔH_f, kcal/mol:	-155.74
Dipole, Da:	5.6
IP(EA), eV:	-8.86(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(4-fluorophenyl)methyl]-4-[[2-(trifluoromethyl)phenyl]methyl]piperazine

Drug info:

PubChemData

Smile

C1CN(CCN1CC2=CC=C(C=C2)F)CC3=CC=CC=C3C(F)(F)F

DOS

IR

Vibrations