Geometry & MOs

Info

ID:	228951
PubChem CID:	87566364
Reduced:	O10C15H28 (1)
Stoich.:	A10B15C28 (1)
Weight, g/mol:	284.095654
ΔH_f, kcal/mol:	-477.46
Dipole, Da:	5.98
IP(EA), eV:	-10.6(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

(1-methyl-3-oxopiperidin-1-ium-1-yl) 4-methylbenzenesulfonate

Drug info:

PubChemData

Smile

CCCOC(CC(=O)O)(CC(=O)O)C(=O)O.CC(CO)OCC(C)O

DOS

IR

Vibrations