Geometry & MOs

Info

ID:	406713
PubChem CID:	135078439
Reduced:	OSC15H16 (1)
Stoich.:	ABC15D16 (1)
Weight, g/mol:	323.080299
ΔH_f, kcal/mol:	11.78
Dipole, Da:	5.06
IP(EA), eV:	-8.76(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-but-3-enyl-2-ethenyl-5-methylpyridin-1-ium;trifluoromethanesulfonate

Drug info:

PubChemData

Smile

C=C=CC1(CCCCC1=O)SC2=CC=CC=C2

DOS

IR

Vibrations