Geometry & MOs

Info

ID:

51894

PubChem CID:

12014658

Reduced:

BMoNO2P2F4C37H40 (1)

Stoich.:

ABCD2E2F4G37H40 (1)

Weight, g/mol:

791.1774

ΔHf, kcal/mol:

-24.13

Dipole, Da:

9.27

IP(EA), eV:

 -7.75(-1.01)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

acetonitrile;(1Z,5Z)-cycloocta-1,5-diene;2-diphenylphosphanylethyl(diphenyl)phosphane;formaldehyde;molybdenum(2+);tetrafluoroborate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations