Geometry & MOs

Info

ID:	228567
PubChem CID:	87565311
Reduced:	O2N3C16H37 (1)
Stoich.:	A2B3C16D37 (1)
Weight, g/mol:	247.170292
ΔH_f, kcal/mol:	-103.2
Dipole, Da:	6.08
IP(EA), eV:	-8.63(1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,1-dibutylpiperidin-1-ium-4-one;chloride

Drug info:

PubChemData

Smile

CCN=C=NCCCN(C)C.CCOCC.CCOCC

DOS

IR

Vibrations