Geometry & MOs

Info

ID:	37054
PubChem CID:	8016427
Reduced:	O2H4C5 (3)
Stoich.:	A2B4C5 (3)
Weight, g/mol:	325.227989
ΔH_f, kcal/mol:	-170.38
Dipole, Da:	1.37
IP(EA), eV:	-8.98(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=O)C2=C(O1)C(=C3C(=C2O)C=CO3)OCC(=O)C

DOS

IR

Vibrations