Geometry & MOs

Info

ID:

440033

PubChem CID:

135229918

Reduced:

NO2H47C68 (1)

Stoich.:

AB2C47D68 (1)

Weight, g/mol:

917.32938

ΔHf, kcal/mol:

204.83

Dipole, Da:

1.28

IP(EA), eV:

 -8.14(-0.69)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(4-dibenzofuran-3-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

CC1(C2=CC=CC=C2C3=C1C=C(C=C3)N(C4=CC=C(C=C4)C5=CC=CC6=C5OC7=CC=CC=C67)C89CCC8C1=C(C=C9)C2(C3=C(C4=CC=CC=C4C=C3)OC3=C2C=CC2=CC=CC=C23)C2=CC=CC=C21)C

DOS

IR

Vibrations