Geometry & MOs

Info

ID:

411120

PubChem CID:

135083930

Reduced:

AlNa3O6Si6C108H120 (1)

Stoich.:

AB3C6D6E108F120 (1)

Weight, g/mol:

1825.646064

ΔHf, kcal/mol:

-221.1

Dipole, Da:

11.18

IP(EA), eV:

 -4.51(-1.47)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC[Si](CC)(CC)C#CC1=CC2=C(C=C1)C(=C(C=C2)[O-])C3=C(C=CC4=C3C=CC(=C4)C#C[Si](CC)(CC)CC)O[Al](OC5=C(C6=C(C=C5)C=C(C=C6)C#C[Si](CC)(CC)CC)C7=C(C=CC8=C7C=CC(=C8)C#C[Si](CC)(CC)CC)[O-])OC9=C(C1=C(C=C9)C=C(C=C1)C#C[Si](CC)(CC)CC)C1=C(C=CC2=C1C=CC(=C2)C#C[Si](CC)(CC)CC)[O-].[Na+].[Na+].[Na+]

DOS

IR

Vibrations