Geometry & MOs

Info

ID:

411115

PubChem CID:

135083925

Reduced:

AlNa3O6Si6C78H84 (1)

Stoich.:

AB3C6D6E78F84 (1)

Weight, g/mol:

1428.361007

ΔHf, kcal/mol:

-309.51

Dipole, Da:

5.09

IP(EA), eV:

 -4.07(-1.03)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tripotassium;1-[2-bis[[1-(2-oxido-6-trimethylsilylnaphthalen-1-yl)-6-trimethylsilylnaphthalen-2-yl]oxy]alumanyloxy-6-trimethylsilylnaphthalen-1-yl]-6-trimethylsilylnaphthalen-2-olate

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-].[Na+].[Na+].[Na+]

DOS

IR

Vibrations