Geometry & MOs

Info

ID:

439956

PubChem CID:

135229827

Reduced:

O9C67H114 (1)

Stoich.:

A9B67C114 (1)

Weight, g/mol:

917.32938

ΔHf, kcal/mol:

-543.1

Dipole, Da:

1.83

IP(EA), eV:

 -8.5(0.04)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(4-dibenzofuran-4-ylphenyl)-N-(4-phenylphenyl)-3-spiro[2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene-13,9'-fluorene]-2'-ylaniline

Drug info:

PubChemData

Smile

CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@@H]1C[C@@H]([C@H](C(O1)OC2=CC=C(C=C2)OC)OC(=O)CCCCCCC/C=C\CCCCCCCC)OC(=O)CCCCCCC/C=C\CCCCCCCC

DOS

IR

Vibrations