Geometry & MOs

Info

ID:	37055
PubChem CID:	8016433
Reduced:	ON2C21H29 (1)
Stoich.:	AB2C21D29 (1)
Weight, g/mol:	324.220164
ΔH_f, kcal/mol:	0.04
Dipole, Da:	3.6
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.071711
Charge, e:	0

Chem-info

IUPAC name:

3-[(2S)-1-[2-(3-propan-2-ylphenoxy)ethyl]piperidin-2-yl]pyridine

Drug info:

PubChemData

Smile

CC(C)C1=CC(=CC=C1)OCC[NH+]2CCCC[C@H]2C3=CN=CC=C3

DOS

IR

Vibrations