Geometry & MOs

Info

ID:

439980

PubChem CID:

135229851

Reduced:

NO2H43C70 (1)

Stoich.:

AB2C43D70 (1)

Weight, g/mol:

917.32938

ΔHf, kcal/mol:

240.09

Dipole, Da:

1.12

IP(EA), eV:

 -8.02(-0.7)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(4-dibenzofuran-3-ylphenyl)-3-phenyl-N-(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'-ylphenyl)aniline

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2(C3=C(C=C(C=C3)N(C4=CC5=C(C=C4)OC6=CC=CC=C65)C7=CC8=C(C=C7)C9=CC=CC=C9C81C3=C(C4=CC=CC=C4C=C3)OC3=C1C=CC1=CC=CC=C13)C1=CC=CC=C12)C1=CC=CC=C1

DOS

IR

Vibrations