Geometry & MOs

Info

ID:

298831

PubChem CID:

117659797

Reduced:

ON2H21C35 (2)

Stoich.:

AB2C21D35 (2)

Weight, g/mol:

639.231063

ΔHf, kcal/mol:

276.87

Dipole, Da:

2.96

IP(EA), eV:

 -8.26(-1.29)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

9-[2-[2-(3-dibenzofuran-2-ylphenyl)-6-phenylpyrimidin-4-yl]phenyl]carbazole

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC(=NC(=N2)C3=CC(=CC(=C3)N4C5=CC=CC=C5C6=CC=CC=C64)N7C8=CC=CC=C8C9=CC=CC=C97)C1=CC(=CC(=C1)C1=C2C3=CC=CC=C3OC2=CC=C1)C1=C2C3=CC=CC=C3OC2=CC=C1

DOS

IR

Vibrations