Geometry & MOs

Info

ID:

439714

PubChem CID:

135229517

Reduced:

NO2H47C72 (1)

Stoich.:

AB2C47D72 (1)

Weight, g/mol:

957.36068

ΔHf, kcal/mol:

215.73

Dipole, Da:

1.67

IP(EA), eV:

 -8.08(-0.67)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(4-dibenzofuran-4-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-2-amine

Drug info:

PubChemData

Smile

CC1(C2=CC=CC=C2C3=C1C=C(C=C3)N(C4=CC=C(C=C4)C5=CC6=C(C=C5)C7=CC=CC=C7O6)C8=CC=CC(=C8)C9=CC1=C(C=C9)C2=CC=CC=C2C11C2=C(C3=CC=CC=C3C=C2)OC2=C1C=CC1=CC=CC=C12)C

DOS

IR

Vibrations