Geometry & MOs

Info

ID:	159074
PubChem CID:	57260119
Reduced:	NOSC7H9 (1)
Stoich.:	ABCD7E9 (1)
Weight, g/mol:	262.253475
ΔH_f, kcal/mol:	-4.12
Dipole, Da:	3.05
IP(EA), eV:	-9.33(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

1-(3,7-dimethylocta-2,6-dienyl)-1-prop-2-enylpiperidin-1-ium

Drug info:

PubChemData

Smile

CC(C=O)(C1=CC=CS1)N

DOS

IR

Vibrations