Geometry & MOs

Info

ID:

387217

PubChem CID:

134984442

Reduced:

MoPH4C6O6 (1)

Stoich.:

ABC4D6E6 (1)

Weight, g/mol:

886.574149

ΔHf, kcal/mol:

-33.18

Dipole, Da:

6.39

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 1.916058

Charge, e:

 0

Chem-info

IUPAC name:

[2-[2,6-di(propan-2-yl)phenyl]-3,3,9-trimethyl-6-propan-2-yl-2-azaspiro[4.5]decan-1-ylidene]-[[2-[2,6-di(propan-2-yl)phenyl]-3,3,9-trimethyl-6-propan-2-yl-2-azaspiro[4.5]decan-1-ylidene]phosphanylphosphanylidenephosphanyl]phosphane

Drug info:

PubChemData

Smile

COP=[Mo].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+]

DOS

IR

Vibrations