Geometry & MOs

Info

ID:

377600

PubChem CID:

134223662

Reduced:

O2N5H25C51 (1)

Stoich.:

A2B5C25D51 (1)

Weight, g/mol:

819.263425

ΔHf, kcal/mol:

258.8

Dipole, Da:

3.46

IP(EA), eV:

 -8.54(-1.67)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-[1]benzofuro[2,3-b]carbazol-10-yl]-7-phenyl-[1]benzofuro[2,3-b]carbazole

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C3=CC4=C(C=C3O2)N(C5=C4C=C(C=C5)C6=CC7=C(C=C6)N(C8=C7C=C9C1=CC=CC=C1OC9=C8)C1=CC=CC(=C1)C#N)C1=CC(=C(C=C1)C#N)C#N

DOS

IR

Vibrations