Geometry & MOs

Info

ID:

440045

PubChem CID:

135229930

Reduced:

NO2H47C72 (1)

Stoich.:

AB2C47D72 (1)

Weight, g/mol:

957.36068

ΔHf, kcal/mol:

215.83

Dipole, Da:

2.53

IP(EA), eV:

 -7.99(-0.65)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(4-dibenzofuran-3-ylphenyl)-9,9-dimethyl-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)fluoren-3-amine

Drug info:

PubChemData

Smile

CC1(C2=C(C=C(C=C2)N(C3=CC=C(C=C3)C4=CC5=C(C=C4)OC6=CC=CC=C65)C7=CC=CC(=C7)C8=CC9=C(C=C8)C2=CC=CC=C2C92C3=C(C4=CC=CC=C4C=C3)OC3=C2C=CC2=CC=CC=C23)C2=CC=CC=C21)C

DOS

IR

Vibrations