Geometry & MOs

Info

ID:	387884
PubChem CID:	134987262
Reduced:	NC12H23 (1)
Stoich.:	AB12C23 (1)
Weight, g/mol:	376.04702
ΔH_f, kcal/mol:	-2.18
Dipole, Da:	1.41
IP(EA), eV:	-8.24(1.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methyl-2-[(E)-2-methylsulfanyl-2-piperidin-1-ylethenyl]pyridin-1-ium;iodide

Drug info:

PubChemData

Smile

CCCCC#CN(CCC)CCC

DOS

IR

Vibrations