Geometry & MOs

Info

ID:	298829
PubChem CID:	117659577
Reduced:	ON4H28C45 (1)
Stoich.:	AB4C28D45 (1)
Weight, g/mol:	689.246713
ΔH_f, kcal/mol:	209.38
Dipole, Da:	0.54
IP(EA), eV:	-8.33(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

9-[4-[6-(4-dibenzofuran-2-ylphenyl)-2-naphthalen-2-ylpyrimidin-4-yl]phenyl]carbazole

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=NC(=NC(=N2)C3=CC=C(C=C3)N4C5=CC=CC=C5C6=CC=CC=C64)C7=CC=C(C=C7)C8=CC9=C(C=C8)OC1=CC=CC=C19

DOS

IR

Vibrations