Geometry & MOs

Info

ID:

317088

PubChem CID:

126632458

Reduced:

S3N5H57C98 (1)

Stoich.:

A3B5C57D98 (1)

Weight, g/mol:

1302.433845

ΔHf, kcal/mol:

466.06

Dipole, Da:

5.75

IP(EA), eV:

 -8.19(-1.25)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C3=C(N2C4=CC=CC(=C4)C5=CC6=C(C=C5)N=C(N=C6C7=CC(=CC=C7)N8C9=CC=CC=C9C1=C8C(=CC=C1)C1=CC=CC2=C1SC1=CC=CC=C21)C1=CC(=CC=C1)N1C2=CC=CC=C2C2=C1C(=CC=C2)C1=CC=CC2=C1SC1=CC=CC=C21)C(=CC=C3)C1=CC=CC2=C1SC1=CC=CC=C21

DOS

IR

Vibrations