Geometry & MOs

Info

ID:

439757

PubChem CID:

135229577

Reduced:

NOH33C51 (1)

Stoich.:

ABC33D51 (1)

Weight, g/mol:

917.32938

ΔHf, kcal/mol:

183.15

Dipole, Da:

0.44

IP(EA), eV:

 -8.1(-0.67)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(4-dibenzofuran-4-ylphenyl)-3-phenyl-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]-2'-ylphenyl)aniline

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)N(C2=CC=CC=C2)C3=CC=C(C=C3)C4=C5C6=CC=CC=C6C7(C5=CC=C4)C8=C(C9=CC=CC=C9C=C8)OC1=C7C=CC2=CC=CC=C21

DOS

IR

Vibrations