Geometry & MOs

Info

ID:	228620
PubChem CID:	87565430
Reduced:	O7C9H18 (1)
Stoich.:	A7B9C18 (1)
Weight, g/mol:	267.114044
ΔH_f, kcal/mol:	-327.2
Dipole, Da:	6.33
IP(EA), eV:	-10.22(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-butylpiperidin-1-ium-3-one;methyl sulfate

Drug info:

PubChemData

Smile

CCOC(CC(=O)O)C(=O)O.CC(CO)O

DOS

IR

Vibrations