Geometry & MOs

Info

ID:

51898

PubChem CID:

12014662

Reduced:

BMoP2O3F4C36H39 (1)

Stoich.:

ABC2D3E4F36G39 (1)

Weight, g/mol:

791.1774

ΔHf, kcal/mol:

-322.35

Dipole, Da:

9.55

IP(EA), eV:

 -7.91(-0.4)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

[B-](F)(F)(F)F.C=O.C=O.C=O.C1C/C=C\[CH-]/C=C\C1.C1=CC=C(C=C1)P(C2=CC=CC=C2)CP(C3=CC=CC=C3)C4=CC=CC=C4.[Mo+2]

DOS

IR

Vibrations