Geometry & MOs

Info

ID:

409768

PubChem CID:

135082553

Reduced:

FeO4H5C7 (1)

Stoich.:

AB4C5D7 (1)

Weight, g/mol:

439.055027

ΔHf, kcal/mol:

63.97

Dipole, Da:

4.58

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 1.027645

Charge, e:

 0

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

C=C[CH2].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[Fe]

DOS

IR

Vibrations