Geometry & MOs

Info

ID:	193713
PubChem CID:	78428071
Reduced:	S2F3N3O4H18C20 (1)
Stoich.:	A2B3C3D4E18F20 (1)
Weight, g/mol:	281.165388
ΔH_f, kcal/mol:	-231.79
Dipole, Da:	10.24
IP(EA), eV:	-9.27(-1.74)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

1-phenyl-2-(2-pyridin-3-ylpiperidin-1-ium-1-yl)ethanone

Drug info:

PubChemData

Smile

COC(=O)C1=C(C=CS1)S(=O)(=O)N2CCN(CC2)C3=C4C=CC(=CC4=NC=C3)C(F)(F)F

DOS

IR

Vibrations