Geometry & MOs

Info

ID:

315841

PubChem CID:

126629010

Reduced:

ON6H30C50 (1)

Stoich.:

AB6C30D50 (1)

Weight, g/mol:

670.200491

ΔHf, kcal/mol:

263.15

Dipole, Da:

1.79

IP(EA), eV:

 -8.2(-1.34)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

8-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-[1,4]benzodioxino[3,2-c]carbazole

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=NC(=NC(=N2)C3=CC=CC4=C3OC5=C4C=C(C=C5)N6C7=C(C8=C6C=NC=C8)C9=C(C=C7)C1=CC=CC=C1N9C1=CC=CC=C1)C1=CC=CC=C1

DOS

IR

Vibrations