Geometry & MOs

Info

ID:

316908

PubChem CID:

126631992

Reduced:

O3N5H49C86 (1)

Stoich.:

A3B5C49D86 (1)

Weight, g/mol:

1074.331839

ΔHf, kcal/mol:

330.21

Dipole, Da:

2.38

IP(EA), eV:

 -8.34(-1.15)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

9-[4,6-bis(3-dibenzofuran-3-ylcarbazol-9-yl)-1,3,5-triazin-2-yl]-3-dibenzofuran-3-ylcarbazole

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C(=CC=C2N3C4=C(C=C(C=C4)C5=CC6=C(C=C5)C7=CC=CC=C7O6)C8=CC=CC=C83)C9=CC(=NC(=N9)N1C2=C(C=C(C=C2)C2=CC3=C(C=C2)C2=CC=CC=C2O3)C2=CC=CC=C21)N1C2=C(C=C(C=C2)C2=CC3=C(C=C2)C2=CC=CC=C2O3)C2=CC=CC=C21

DOS

IR

Vibrations