Geometry & MOs

Info

ID:	229222
PubChem CID:	87567215
Reduced:	NSO5C9H19 (1)
Stoich.:	ABC5D9E19 (1)
Weight, g/mol:	247.170292
ΔH_f, kcal/mol:	-219.98
Dipole, Da:	14.29
IP(EA), eV:	-10.03(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,1-di(butan-2-yl)piperidin-1-ium-4-one;chloride

Drug info:

PubChemData

Smile

CC(C)[NH+]1CCCC(=O)C1.COS(=O)(=O)[O-]

DOS

IR

Vibrations