Geometry & MOs

Info

ID:

377638

PubChem CID:

134223702

Reduced:

O2N5H37C63 (1)

Stoich.:

A2B5C37D63 (1)

Weight, g/mol:

894.299476

ΔHf, kcal/mol:

265.09

Dipole, Da:

2.77

IP(EA), eV:

 -8.26(-1.32)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

7-[3-(2,6-diphenylpyrimidin-4-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)C2=NC(=NC(=N2)C3=CC(=CC=C3)N4C5=CC=CC=C5C6=CC7=C(C=C64)OC8=C7C=C(C=C8)C9=CC1=C(C=C9)C2=C(N1C1=CC=CC=C1)C=C1C(=C2)C2=CC=CC=C2O1)C1=CC=CC=C1

DOS

IR

Vibrations