Geometry & MOs

Info

ID:

411719

PubChem CID:

135084553

Reduced:

LaLi3O6H57C66 (1)

Stoich.:

AB3C6D57E66 (1)

Weight, g/mol:

1850.7982

ΔHf, kcal/mol:

-260.24

Dipole, Da:

8.58

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 4.515292

Charge, e:

 6

Chem-info

IUPAC name:

trilithium;1-[2-hydroxy-6-(2-triethylsilylethynyl)naphthalen-1-yl]-6-(2-triethylsilylethynyl)naphthalen-2-ol;[1-[2-hydroxy-6-(2-triethylsilylethynyl)naphthalen-1-yl]-6-(2-triethylsilylethynyl)naphthalen-2-yl]oxidanium;lanthanum;[1-[2-oxonio-6-(2-triethylsilylethynyl)naphthalen-1-yl]-6-(2-triethylsilylethynyl)naphthalen-2-yl]oxidanium

Drug info:

PubChemData

Smile

[Li+].[Li+].[Li+].CC1=CC2=C(C=C1)C(=C(C=C2)[OH2+])C3=C(C=CC4=C3C=CC(=C4)C)[OH2+].CC1=CC2=C(C=C1)C(=C(C=C2)[OH2+])C3=C(C=CC4=C3C=CC(=C4)C)O.CC1=CC2=C(C=C1)C(=C(C=C2)O)C3=C(C=CC4=C3C=CC(=C4)C)O.[La]

DOS

IR

Vibrations