Geometry & MOs

Info

ID:	228831
PubChem CID:	87565900
Reduced:	O9C10H20 (1)
Stoich.:	A9B10C20 (1)
Weight, g/mol:	299.119129
ΔH_f, kcal/mol:	-405.35
Dipole, Da:	6.26
IP(EA), eV:	-10.48(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,1-dimethylpiperidin-1-ium-4-one;4-methylbenzenesulfonate

Drug info:

PubChemData

Smile

CCOC(C(C(=O)O)O)C(=O)O.C(COCCO)O

DOS

IR

Vibrations