Geometry & MOs

Info

ID:

411107

PubChem CID:

135083917

Reduced:

AlO6H39C60 (1)

Stoich.:

AB6C39D60 (1)

Weight, g/mol:

948.202035

ΔHf, kcal/mol:

-106.99

Dipole, Da:

4.87

IP(EA), eV:

 -8.3(-1.24)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

trisodium;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

DOS

IR

Vibrations