Geometry & MOs

Info

ID:	228568
PubChem CID:	87565312
Reduced:	ClNOC13H26 (1)
Stoich.:	ABCD13E26 (1)
Weight, g/mol:	212.201439
ΔH_f, kcal/mol:	-89.49
Dipole, Da:	12.66
IP(EA), eV:	-8.44(0.14)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

1,1-dibutylpiperidin-1-ium-4-one

Drug info:

PubChemData

Smile

CCCC[N+]1(CCC(=O)CC1)CCCC.[Cl-]

DOS

IR

Vibrations