Geometry & MOs

Info

ID:	130309
PubChem CID:	51075566
Reduced:	FSN2O3H15C16 (1)
Stoich.:	ABC2D3E15F16 (1)
Weight, g/mol:	342.174356
ΔH_f, kcal/mol:	-125.42
Dipole, Da:	3.69
IP(EA), eV:	-9.52(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(4-fluorophenyl)-2-hydroxyethyl]-N-phenylpiperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1(C(=O)N(C(=O)N1)CC(C2=CC=C(C=C2)F)O)C3=CC=CS3

DOS

IR

Vibrations