Geometry & MOs

Info

ID:

316879

PubChem CID:

126631917

Reduced:

O3N5H57C98 (1)

Stoich.:

A3B5C57D98 (1)

Weight, g/mol:

1302.433845

ΔHf, kcal/mol:

371.32

Dipole, Da:

4.2

IP(EA), eV:

 -8.27(-1.21)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

9-[4-[2,6-bis[4-(2-dibenzofuran-3-ylcarbazol-9-yl)phenyl]pyrimidin-4-yl]phenyl]-2-dibenzofuran-3-ylcarbazole

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C3=C(N2C4=CC=C(C=C4)C5=CC(=NC(=N5)C6=CC7=C(C=C6)C=C(C=C7)N8C9=CC=CC=C9C1=C8C=C(C=C1)C1=CC2=C(C=C1)C1=CC=CC=C1O2)C1=CC=C(C=C1)N1C2=CC=CC=C2C2=C1C=C(C=C2)C1=CC2=C(C=C1)C1=CC=CC=C1O2)C=C(C=C3)C1=CC2=C(C=C1)C1=CC=CC=C1O2

DOS

IR

Vibrations