Geometry & MOs

Info

ID:	166937
PubChem CID:	74756923
Reduced:	FON3C28H33 (1)
Stoich.:	ABC3D28E33 (1)
Weight, g/mol:	445.252941
ΔH_f, kcal/mol:	20.72
Dipole, Da:	7.4
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.754362
Charge, e:	0

Chem-info

IUPAC name:

[1-[[3-(4-fluorophenyl)pyrazolidin-4-yl]methyl]piperidin-4-yl]-diphenylmethanol

Drug info:

PubChemData

Smile

C1C[NH+](CCC1C(C2=CC=CC=C2)(C3=CC=CC=C3)O)CC4CNNC4C5=CC=C(C=C5)F

DOS

IR

Vibrations