Geometry & MOs

Info

ID:

51896

PubChem CID:

12014660

Reduced:

BMoP2O3F4C37H41 (1)

Stoich.:

ABC2D3E4F37G41 (1)

Weight, g/mol:

777.16175

ΔHf, kcal/mol:

-258.82

Dipole, Da:

4.72

IP(EA), eV:

 -6.68(-0.15)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

acetonitrile;(1Z,4Z)-cycloocta-1,4-diene;diphenylphosphanylmethyl(diphenyl)phosphane;formaldehyde;molybdenum(2+);tetrafluoroborate

Drug info:

PubChemData

Smile

[B-](F)(F)(F)F.C=O.C=O.C=O.C/1C/C=C\[CH-]C/C=C1.C1=CC=C(C=C1)P(CCP(C2=CC=CC=C2)C3=CC=CC=C3)C4=CC=CC=C4.[Mo+2]

DOS

IR

Vibrations