Geometry & MOs

Info

ID:

125385

PubChem CID:

50921928

Reduced:

Cu3O4N8C12H32 (1)

Stoich.:

A3B4C8D12E32 (1)

Weight, g/mol:

1547.266166

ΔHf, kcal/mol:

59.95

Dipole, Da:

4.23

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 2.825801

Charge, e:

 0

Chem-info

IUPAC name:

copper;4-[4-[2-(5-cyclohexyl-2-methylthiophen-3-yl)-3,3,4,4,5,5-hexafluorocyclopenten-1-yl]-5-methylthiophen-2-yl]piperidin-1-ide;4-[4-[2-(5-cyclohexyl-2-methylthiophen-3-yl)-3,3,4,4,5,5-hexafluorocyclopenten-1-yl]-5-methylthiophen-2-yl]-2H-pyridin-1-ide;1,1,1,5,5,5-hexafluoropentane-2,4-diol

Drug info:

PubChemData

Smile

C(C(C[NH-])O)[NH-].C(C(C[NH-])O)[NH-].C(C(C[NH-])O)[NH-].C(C(C[NH-])O)[NH-].[Cu+2].[Cu+2].[Cu+2]

DOS

IR

Vibrations