Geometry & MOs

Info

ID:

439832

PubChem CID:

135229675

Reduced:

NO2H51C82 (1)

Stoich.:

AB2C51D82 (1)

Weight, g/mol:

1081.39198

ΔHf, kcal/mol:

286.36

Dipole, Da:

1.45

IP(EA), eV:

 -8.03(-0.77)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(4-dibenzofuran-3-ylphenyl)-9,9-diphenyl-N-(4-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]-4'-ylphenyl)fluoren-2-amine

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2(C3=C(C=C(C=C3)N(C4=CC=C(C=C4)C5=CC6=C(C=C5)C7=CC=CC=C7O6)C8=CC=C(C=C8)C9=C1C3=CC=CC=C3C3(C1=CC=C9)C1=C(C4=CC=CC=C4C=C1)OC1=C3C=CC3=CC=CC=C31)C1=CC=CC=C12)C1=CC=CC=C1

DOS

IR

Vibrations