Geometry & MOs

Info

ID:	406714
PubChem CID:	135078440
Reduced:	NSF3O3C13H16 (1)
Stoich.:	ABC3D3E13F16 (1)
Weight, g/mol:	174.128275
ΔH_f, kcal/mol:	-226.59
Dipole, Da:	15.18
IP(EA), eV:	-10.25(-1.9)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C[N+](=C(C=C1)C=C)CCC=C.C(F)(F)(F)S(=O)(=O)[O-]

DOS

IR

Vibrations