Geometry & MOs

Info

ID:

377453

PubChem CID:

134223506

Reduced:

O2N3H27C49 (1)

Stoich.:

A2B3C27D49 (1)

Weight, g/mol:

894.299476

ΔHf, kcal/mol:

190.34

Dipole, Da:

3.96

IP(EA), eV:

 -8.21(-1.11)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)N2C3=C(C=C(C=C3)C4=CC5=C(C=C4)N(C6=C5C=C7C8=CC=CC=C8OC7=C6)C9=CC=C(C=C9)C#N)C1=C2C=C2C(=C1)C1=CC=CC=C1O2

DOS

IR

Vibrations