Geometry & MOs

Info

ID:

405880

PubChem CID:

135075830

Reduced:

WO6H28C30 (1)

Stoich.:

AB6C28D30 (1)

Weight, g/mol:

528.164949

ΔHf, kcal/mol:

106.12

Dipole, Da:

5.26

IP(EA), eV:

 -6.56(-0.36)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[1-[(1R,2S,5R)-5-methyl-2-(2-phenylpropan-2-yl)cyclohexyl]oxy-3-phenylprop-2-ynylidene]tungsten

Drug info:

PubChemData

Smile

C[C@@H]1CC[C@H]([C@@H](C1)OC(=[W])C#CC2=CC=CC=C2)C(C)(C)C3=CC=CC=C3.[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+]

DOS

IR

Vibrations