Geometry & MOs

Info

ID:

124823

PubChem CID:

50897452

Reduced:

ReO8H9C12 (2)

Stoich.:

AB8C9D12 (2)

Weight, g/mol:

670.87913

ΔHf, kcal/mol:

-201.42

Dipole, Da:

7.34

IP(EA), eV:

 -7.85(-2.67)

Spin(Sz, S2):

 None, None

Charge, e:

 -1

Chem-info

IUPAC name:

carbon monoxide;[2,6-di(propan-2-yl)phenoxy]-methylidenephosphane;iron;methanone

Drug info:

PubChemData

Smile

CC1=C(C(=C(C2=C1OCO2)C3=C(C(=C(C4=C3OCO4)C)[OH2+])[OH2+])[OH2+])[OH2+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[Re].[Re]

DOS

IR

Vibrations