Geometry & MOs

Info

ID:	304180
PubChem CID:	124498129
Reduced:	OSN2C17H24 (1)
Stoich.:	ABC2D17E24 (1)
Weight, g/mol:	366.21297
ΔH_f, kcal/mol:	-42.18
Dipole, Da:	3.96
IP(EA), eV:	-8.81(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(2R)-1-benzylpiperidin-2-yl]-2-cyclohexylsulfanylpyridine

Drug info:

PubChemData

Smile

CC(=O)N1CCC[C@@H]1C2=C(N=CC=C2)SC3CCCCC3

DOS

IR

Vibrations