Geometry & MOs

Info

ID:

409122

PubChem CID:

135081898

Reduced:

FeO2C9H9 (1)

Stoich.:

AB2C9D9 (1)

Weight, g/mol:

242.121475

ΔHf, kcal/mol:

-20.74

Dipole, Da:

7.52

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.933317

Charge, e:

 0

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

C=C.[C-]#[O+].[C-]#[O+].C1=C[CH]C=C1.[Fe]

DOS

IR

Vibrations