Geometry & MOs

Info

ID:

316894

PubChem CID:

126631967

Reduced:

ON2H18C31 (3)

Stoich.:

AB2C18D31 (3)

Weight, g/mol:

1303.429094

ΔHf, kcal/mol:

368.1

Dipole, Da:

0.65

IP(EA), eV:

 -8.38(-1.38)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-dibenzofuran-3-yl-9-[4-[4-[3-(3-dibenzofuran-3-ylcarbazol-9-yl)phenyl]-6-[4-(3-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=NC(=NC(=N5)C6=CC=C(C=C6)N7C8=C(C=C(C=C8)C9=CC1=C(C=C9)C2=CC=CC=C2O1)C1=CC=CC=C17)C1=CC=C(C=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