Geometry & MOs

Info

ID:

315820

PubChem CID:

126628938

Reduced:

SN5H35C57 (1)

Stoich.:

AB5C35D57 (1)

Weight, g/mol:

806.268176

ΔHf, kcal/mol:

298.18

Dipole, Da:

0.74

IP(EA), eV:

 -7.96(-1.32)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=NC(=NC(=N2)C3=CC=CC4=C3SC5=C4C=C(C=C5)N6C7=C(C=C(C=C7)C8=CC9=C(C=C8)N(C1=CC=CC=C19)C1=CC=CC=C1)C1=CC=CC=C16)C1=CC=CC=C1

DOS

IR

Vibrations