Geometry & MOs

Info

ID:	37081
PubChem CID:	8016586
Reduced:	N2O2C21H29 (1)
Stoich.:	A2B2C21D29 (1)
Weight, g/mol:	340.215078
ΔH_f, kcal/mol:	-34.8
Dipole, Da:	4.64
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.070922
Charge, e:	0

Chem-info

IUPAC name:

3-[(2R)-1-[2-(4-propan-2-yloxyphenoxy)ethyl]piperidin-2-yl]pyridine

Drug info:

PubChemData

Smile

CC(C)OC1=CC=C(C=C1)OCC[NH+]2CCCC[C@@H]2C3=CN=CC=C3

DOS

IR

Vibrations