Geometry & MOs

Info

ID:	228895
PubChem CID:	87566138
Reduced:	LiNC14H22 (1)
Stoich.:	ABC14D22 (1)
Weight, g/mol:	383.21303
ΔH_f, kcal/mol:	-2.9
Dipole, Da:	6.9
IP(EA), eV:	-6.48(1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,1-bis(2-methylpropyl)piperidin-1-ium-3-one;4-methylbenzenesulfonate

Drug info:

PubChemData

Smile

[Li+].CCC[CH-]C1=CC=CC=C1N(CC)CC

DOS

IR

Vibrations