Geometry & MOs

Info

ID:

316917

PubChem CID:

126632019

Reduced:

O3N5H61C104 (1)

Stoich.:

A3B5C61D104 (1)

Weight, g/mol:

1302.433845

ΔHf, kcal/mol:

398.08

Dipole, Da:

3.13

IP(EA), eV:

 -8.25(-1.43)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C3=C(N2C4=CC=C(C=C4)C5=CC=C(C=C5)C6=CC7=C(C=C6)N=C(N=C7C8=CC=C(C=C8)N9C1=C(C=C(C=C1)C1=CC2=C(C=C1)OC1=CC=CC=C12)C1=CC=CC=C19)C1=CC=C(C=C1)N1C2=C(C=C(C=C2)C2=CC4=C(C=C2)OC2=CC=CC=C24)C2=CC=CC=C21)C=CC(=C3)C1=CC2=C(C=C1)OC1=CC=CC=C12

DOS

IR

Vibrations