Geometry & MOs

Info

ID:

14454

PubChem CID:

411984

Reduced:

NOSH10C11 (1)

Stoich.:

ABCD10E11 (1)

Weight, g/mol:

204.04831

ΔHf, kcal/mol:

32.57

Dipole, Da:

1.44

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 1.038883

Charge, e:

 1

Chem-info

IUPAC name:

2-pyridin-1-ium-1-yl-1-thiophen-2-ylethanone

Drug info:

PubChemData

Smile

C1=CC=[N+](C=C1)CC(=O)C2=CC=CS2

DOS

IR

Vibrations