Geometry & MOs

Info

ID:

315836

PubChem CID:

126628992

Reduced:

ON4H44C67 (1)

Stoich.:

AB4C44D67 (1)

Weight, g/mol:

679.262363

ΔHf, kcal/mol:

286.73

Dipole, Da:

1.22

IP(EA), eV:

 -8.07(-1.33)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-[6-(2,6-diphenylpyrimidin-4-yl)dibenzofuran-2-yl]-7,7-dimethylindeno[2,1-b]carbazole

Drug info:

PubChemData

Smile

CC1(C2=CC=CC=C2C3=C1C=C4C(=C3)C5=CC=CC=C5N4C6=CC7=C(C=C6)OC8=C7C=CC=C8C9=NC(=NC(=N9)C1=C2C3=CC=CC=C3C(C2=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1)C1=CC=CC=C1)C

DOS

IR

Vibrations