Geometry & MOs

Info

ID:

411108

PubChem CID:

135083918

Reduced:

AlNa3O6H36C60 (1)

Stoich.:

AB3C6D36E60 (1)

Weight, g/mol:

996.123847

ΔHf, kcal/mol:

-66.96

Dipole, Da:

6.56

IP(EA), eV:

 -4.72(-1.7)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tripotassium;1-[2-bis[[1-(2-oxidonaphthalen-1-yl)naphthalen-2-yl]oxy]alumanyloxynaphthalen-1-yl]naphthalen-2-olate

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C=CC(=C2C3=C(C=CC4=CC=CC=C43)O[Al](OC5=C(C6=CC=CC=C6C=C5)C7=C(C=CC8=CC=CC=C87)[O-])OC9=C(C1=CC=CC=C1C=C9)C1=C(C=CC2=CC=CC=C21)[O-])[O-].[Na+].[Na+].[Na+]

DOS

IR

Vibrations