Geometry & MOs

Info

ID:

298830

PubChem CID:

117659686

Reduced:

ON3H31C50 (1)

Stoich.:

AB3C31D50 (1)

Weight, g/mol:

970.330777

ΔHf, kcal/mol:

212.31

Dipole, Da:

1.79

IP(EA), eV:

 -8.32(-1.09)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

9-[3-carbazol-9-yl-5-[4-[3,5-di(dibenzofuran-1-yl)phenyl]-6-phenylpyrimidin-2-yl]phenyl]carbazole

Drug info:

PubChemData

Smile

C1=CC=C2C=C(C=CC2=C1)C3=NC(=CC(=N3)C4=CC=C(C=C4)N5C6=CC=CC=C6C7=CC=CC=C75)C8=CC=C(C=C8)C9=CC1=C(C=C9)OC2=CC=CC=C21

DOS

IR

Vibrations