Geometry & MOs

Info

ID:

316893

PubChem CID:

126631965

Reduced:

O3N5H61C104 (1)

Stoich.:

A3B5C61D104 (1)

Weight, g/mol:

1303.429094

ΔHf, kcal/mol:

396.97

Dipole, Da:

3.32

IP(EA), eV:

 -8.17(-1.48)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C3=C(N2C4=CC=C(C=C4)C5=CC=C(C=C5)C6=CC7=C(C=C6)N=C(N=C7C8=CC(=CC=C8)N9C1=C(C=C(C=C1)C1=CC2=C(C=C1)C1=CC=CC=C1O2)C1=CC=CC=C19)C1=CC(=CC=C1)N1C2=C(C=C(C=C2)C2=CC4=C(C=C2)C2=CC=CC=C2O4)C2=CC=CC=C21)C=CC(=C3)C1=CC2=C(C=C1)C1=CC=CC=C1O2

DOS

IR

Vibrations