Geometry & MOs

Info

ID:

377628

PubChem CID:

134223692

Reduced:

O2N5H25C51 (1)

Stoich.:

A2B5C25D51 (1)

Weight, g/mol:

920.351512

ΔHf, kcal/mol:

261.68

Dipole, Da:

6.41

IP(EA), eV:

 -8.51(-1.62)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[5-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-7,7-dimethylindeno[2,1-b]carbazol-2-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(=C1C#N)C#N)C1=CC=CC(=C1)C#N

DOS

IR

Vibrations