Geometry & MOs

Info

ID:

124824

PubChem CID:

50897522

Reduced:

PFe3O11H20C23 (1)

Stoich.:

AB3C11D20E23 (1)

Weight, g/mol:

319.955906

ΔHf, kcal/mol:

291.06

Dipole, Da:

2.03

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 6.577810

Charge, e:

 4

Chem-info

IUPAC name:

carbon monoxide;cyclopenta-1,3-diene;iron(6+);1,2,3,3,4-pentafluorocyclobutene

Drug info:

PubChemData

Smile

CC(C)C1=C(C(=CC=C1)C(C)C)OP=C.[CH-]=O.[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[Fe].[Fe].[Fe]

DOS

IR

Vibrations