Geometry & MOs

Info

ID:

317152

PubChem CID:

126632669

Reduced:

O3N5H39C70 (1)

Stoich.:

A3B5C39D70 (1)

Weight, g/mol:

1315.440328

ΔHf, kcal/mol:

265.74

Dipole, Da:

2.39

IP(EA), eV:

 -8.54(-1.08)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

7-[4-[3,6-bis(9-phenylcarbazol-3-yl)carbazol-9-yl]-6-(3-dibenzofuran-2-ylcarbazol-9-yl)-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-b]carbazole

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C3=CC4=C(C=C3N2C5=NC(=CC(=N5)N6C7=C(C=C(C=C7)C8=CC9=C(C=C8)OC1=CC=CC=C19)C1=CC=CC=C16)N1C2=C(C=C(C=C2)C2=CC3=C(C=C2)OC2=CC=CC=C23)C2=CC=CC=C21)OC1=CC=CC=C14

DOS

IR

Vibrations