Geometry & MOs

Info

ID:	228598
PubChem CID:	87565385
Reduced:	ON3F6H11C14 (1)
Stoich.:	AB3C6D11E14 (1)
Weight, g/mol:	312.126954
ΔH_f, kcal/mol:	-293.96
Dipole, Da:	5.13
IP(EA), eV:	-10.1(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

(3-oxo-1-propylpiperidin-1-ium-1-yl) 4-methylbenzenesulfonate

Drug info:

PubChemData

Smile

C1=CC(=CC=C1C2=NC(=NC(=C2)CN)OCC(F)(F)F)C(F)(F)F

DOS

IR

Vibrations