Geometry & MOs

Info

ID:	387885
PubChem CID:	134987263
Reduced:	ISN2C14H21 (1)
Stoich.:	ABC2D14E21 (1)
Weight, g/mol:	249.142545
ΔH_f, kcal/mol:	49.61
Dipole, Da:	6.68
IP(EA), eV:	-6.93(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[N+]1=CC=CC=C1/C=C(\N2CCCCC2)/SC.[I-]

DOS

IR

Vibrations