Geometry & MOs

Info

ID:

411111

PubChem CID:

135083921

Reduced:

LaNa3O6Si6C78H87 (1)

Stoich.:

AB3C6D6E78F87 (1)

Weight, g/mol:

1543.3093

ΔHf, kcal/mol:

-344.28

Dipole, Da:

26.21

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 5.157179

Charge, e:

 0

Chem-info

IUPAC name:

tripotassium;1-(2-hydroxy-6-trimethylsilylnaphthalen-1-yl)-6-trimethylsilylnaphthalen-2-olate;lanthanum

Drug info:

PubChemData

Smile

C[Si](C)(C)C1=CC2=C(C=C1)C(=C(C=C2)O)C3=C(C=CC4=C3C=CC(=C4)[Si](C)(C)C)[O-].C[Si](C)(C)C1=CC2=C(C=C1)C(=C(C=C2)O)C3=C(C=CC4=C3C=CC(=C4)[Si](C)(C)C)[O-].C[Si](C)(C)C1=CC2=C(C=C1)C(=C(C=C2)O)C3=C(C=CC4=C3C=CC(=C4)[Si](C)(C)C)[O-].[Na+].[Na+].[Na+].[La]

DOS

IR

Vibrations