Geometry & MOs

Info

ID:

57311

PubChem CID:

22395641

Reduced:

FeNC2H8 (1)

Stoich.:

ABC2D8 (1)

Weight, g/mol:

131.064295

ΔHf, kcal/mol:

194.63

Dipole, Da:

0.11

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 2.709151

Charge, e:

 1

Chem-info

IUPAC name:

1,1-dimethylimidazolidin-1-ium-2-thione

Drug info:

PubChemData

Smile

C=C.[NH4+].[Fe+3]

DOS

IR

Vibrations