Geometry & MOs

Info

ID:

377478

PubChem CID:

134223533

Reduced:

O2N5H37C63 (1)

Stoich.:

A2B5C37D63 (1)

Weight, g/mol:

844.320212

ΔHf, kcal/mol:

266.87

Dipole, Da:

1.51

IP(EA), eV:

 -8.1(-1.28)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

10-[5-(4,6-diphenylpyrimidin-2-yl)-7,7-dimethylindeno[2,1-b]carbazol-9-yl]-7-phenyl-[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=CC(=C8)C9=CC1=C(C=C9)N(C2=C1C=C1C3=CC=CC=C3OC1=C2)C1=CC=CC=C1)C1=CC=CC=C1

DOS

IR

Vibrations