Geometry & MOs

Info

ID:	37046
PubChem CID:	8016395
Reduced:	NO2H7C10 (2)
Stoich.:	AB2C7D10 (2)
Weight, g/mol:	339.243639
ΔH_f, kcal/mol:	-59.69
Dipole, Da:	3.6
IP(EA), eV:	-8.31(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

3-[(2S)-1-[2-(3-methyl-5-propan-2-ylphenoxy)ethyl]piperidin-1-ium-2-yl]pyridine

Drug info:

PubChemData

Smile

COC1=C(C2=C(C=C1)C3=NC=CC4=C3N(C2=O)C5=C4C=C(C=C5)O)OC

DOS

IR

Vibrations