Geometry & MOs

Info

ID:

439985

PubChem CID:

135229856

Reduced:

NO2H47C69 (1)

Stoich.:

AB2C47D69 (1)

Weight, g/mol:

917.32938

ΔHf, kcal/mol:

268.14

Dipole, Da:

1.39

IP(EA), eV:

 -7.96(-0.58)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(4-dibenzofuran-3-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

C1CC2=C(C=C1)C3=C(C=C2)C4(C5C=C(C=CC5C6=CC=CC=C64)C7=CC=C(C=C7)N(C8=CC=C(C=C8)C9=CC1=C(C=C9)OC2=CC=CC=C21)C1=CC=CC(=C1)C1=CC=CC=C1)C1=C(O3)C2=CC=CC=C2C=C1

DOS

IR

Vibrations