Geometry & MOs

Info

ID:	403180
PubChem CID:	135059074
Reduced:	SC11H16 (1)
Stoich.:	AB11C16 (1)
Weight, g/mol:	234.185789
ΔH_f, kcal/mol:	5.37
Dipole, Da:	0.23
IP(EA), eV:	-8.91(0.2)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

1,3-dimethyl-6-[(E)-oct-4-en-4-yl]-3H-pyridin-1-ium-2-one

Drug info:

PubChemData

Smile

CC/C=C(\CC)/C1=CC=C(S1)C

DOS

IR

Vibrations