Geometry & MOs

Info

ID:	167088
PubChem CID:	74779044
Reduced:	FN3O3C19H20 (1)
Stoich.:	AB3C3D19E20 (1)
Weight, g/mol:	327.207253
ΔH_f, kcal/mol:	-120.03
Dipole, Da:	2.83
IP(EA), eV:	-9.49(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

[3-[(3-methoxyphenyl)methyl]-1-(pyridin-4-ylmethyl)piperidin-1-ium-3-yl]methanol

Drug info:

PubChemData

Smile

CC(=O)N1CCCC1C(=O)NCC2=C(N=CC=C2)OC3=CC=CC=C3F

DOS

IR

Vibrations