Geometry & MOs

Info

ID:

316875

PubChem CID:

126631913

Reduced:

O3N6H58C99 (1)

Stoich.:

A3B6C58D99 (1)

Weight, g/mol:

1303.429094

ΔHf, kcal/mol:

391.1

Dipole, Da:

2.82

IP(EA), eV:

 -8.33(-1.32)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C3=C(N2C4=CC=C(C=C4)C5=CC=C(C=C5)C6=NC(=NC(=N6)C7=CC=C(C=C7)N8C9=CC=CC=C9C1=C8C=C(C=C1)C1=CC2=C(C=C1)C1=CC=CC=C1O2)C1=CC=C(C=C1)N1C2=CC=CC=C2C2=C1C=C(C=C2)C1=CC2=C(C=C1)C1=CC=CC=C1O2)C=C(C=C3)C1=CC2=C(C=C1)C1=CC=CC=C1O2

DOS

IR

Vibrations