Geometry & MOs

Info

ID:

315822

PubChem CID:

126628942

Reduced:

N5H41C65 (1)

Stoich.:

A5B41C65 (1)

Weight, g/mol:

746.214033

ΔHf, kcal/mol:

318.74

Dipole, Da:

0.56

IP(EA), eV:

 -7.96(-1.22)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1C2=C(C=C(C=C2)N3C4=C(C=C(C=C4)C5=CC6=C(C=C5)N(C7=CC=CC=C76)C8=CC=CC=C8)C9=CC=CC=C93)C2=C1C(=CC=C2)C1=NC(=NC(=N1)C1=CC=CC2=C1CC1=CC=CC=C12)C1=CC=CC=C1

DOS

IR

Vibrations