Geometry & MOs

Info

ID:

14720

PubChem CID:

419006

Reduced:

NSH14C16 (1)

Stoich.:

ABC14D16 (1)

Weight, g/mol:

252.084696

ΔHf, kcal/mol:

81.4

Dipole, Da:

4.43

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 1.528056

Charge, e:

 1

Chem-info

IUPAC name:

4-[2-(1-benzothiophen-3-yl)ethenyl]-1-methylpyridin-1-ium

Drug info:

PubChemData

Smile

C[N+]1=CC=C(C=C1)C=CC2=CSC3=CC=CC=C32

DOS

IR

Vibrations