Geometry & MOs

Info

ID:

377632

PubChem CID:

134223696

Reduced:

ON3H12C26 (2)

Stoich.:

AB3C12D26 (2)

Weight, g/mol:

844.320212

ΔHf, kcal/mol:

292.56

Dipole, Da:

4.52

IP(EA), eV:

 -8.76(-1.63)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

DOS

IR

Vibrations