Geometry & MOs

Info

ID:	37080
PubChem CID:	8016583
Reduced:	N2O2C23H30 (1)
Stoich.:	A2B2C23D30 (1)
Weight, g/mol:	341.222903
ΔH_f, kcal/mol:	-46.74
Dipole, Da:	7.57
IP(EA), eV:	-8.95(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC(=O)C1=CC=CC=C1OCCCCN2CCCC[C@@H]2C3=CN=CC=C3

DOS

IR

Vibrations