Geometry & MOs

Info

ID:	229201
PubChem CID:	87567167
Reduced:	NSO5C10H19 (1)
Stoich.:	ABC5D10E19 (1)
Weight, g/mol:	327.150429
ΔH_f, kcal/mol:	-225.35
Dipole, Da:	2.67
IP(EA), eV:	-9.66(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-butylpiperidin-1-ium-3-one;4-methylbenzenesulfonate

Drug info:

PubChemData

Smile

CC(=C)C(=O)OC(CCS(=O)(=O)O)C(C)(C)N

DOS

IR

Vibrations