Geometry & MOs

Info

ID:

410063

PubChem CID:

135082852

Reduced:

Fe2O5H7C13 (1)

Stoich.:

A2B5C7D13 (1)

Weight, g/mol:

324.281701

ΔHf, kcal/mol:

301.44

Dipole, Da:

1.55

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 5.439497

Charge, e:

 0

Chem-info

IUPAC name:

ethane;tetracyclo[6.6.2.13,13.16,10]octadeca-1(14),2,6,8,10(18),13(17)-hexaene

Drug info:

PubChemData

Smile

[CH-]=O.[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[CH]1[CH][C]2[CH][CH][CH][C]2[CH]1.[Fe].[Fe]

DOS

IR

Vibrations