Geometry & MOs

Info

ID:

411116

PubChem CID:

135083926

Reduced:

AlK3O6Si6C78H84 (1)

Stoich.:

AB3C6D6E78F84 (1)

Weight, g/mol:

1892.67255

ΔHf, kcal/mol:

-219.81

Dipole, Da:

15.48

IP(EA), eV:

 -5.41(-1.6)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

trisodium;1-[2-hydroxy-6-(2-triethylsilylethynyl)naphthalen-1-yl]-6-(2-triethylsilylethynyl)naphthalen-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[Al](OC5=C(C6=C(C=C5)C=C(C=C6)[Si](C)(C)C)C7=C(C=CC8=C7C=CC(=C8)[Si](C)(C)C)[O-])OC9=C(C1=C(C=C9)C=C(C=C1)[Si](C)(C)C)C1=C(C=CC2=C1C=CC(=C2)[Si](C)(C)C)[O-].[K+].[K+].[K+]

DOS

IR

Vibrations