Geometry & MOs

Info

ID:	37083
PubChem CID:	8016620
Reduced:	O5C24H30 (1)
Stoich.:	A5B24C30 (1)
Weight, g/mol:	327.207253
ΔH_f, kcal/mol:	-196.87
Dipole, Da:	6.45
IP(EA), eV:	-9.62(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

3-[(2R)-1-[3-(3-methoxyphenoxy)propyl]piperidin-1-ium-2-yl]pyridine

Drug info:

PubChemData

Smile

C[C@]12CC[C@H]3[C@H](C1=CC[C@@H]2C4=COC(=O)C=C4)CC[C@@]5([C@@]3(CC[C@@H](C5)O)C=O)O

DOS

IR

Vibrations