Geometry & MOs

Info

ID:

125769

PubChem CID:

50937302

Reduced:

MoN2P2O6C16H30 (2)

Stoich.:

AB2C2D6E16F30 (2)

Weight, g/mol:

1040.291043

ΔHf, kcal/mol:

-606.01

Dipole, Da:

3.02

IP(EA), eV:

 -6.86(-0.24)

Spin(Sz, S2):

 None, None

Charge, e:

 5

Chem-info

IUPAC name:

carbon monoxide;chromium;2-N,2-N,4-N,4-N,6-N,6-N,8-N,8-N,10-N,10-N-deca(propan-2-yl)-1,3,5,7,9,2,4,6,8,10-pentaoxapentaphosphecane-2,4,6,8,10-pentaium-2,4,6,8,10-pentamine

Drug info:

PubChemData

Smile

CC(C)N(C(C)C)[PH+]1O[PH+](O[PH+](O[PH+](O1)N(C(C)C)C(C)C)N(C(C)C)C(C)C)N(C(C)C)C(C)C.[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[Mo].[Mo]

DOS

IR

Vibrations