Geometry & MOs

Info

ID:

316910

PubChem CID:

126631997

Reduced:

O3N6H48C85 (1)

Stoich.:

A3B6C48D85 (1)

Weight, g/mol:

1302.433845

ΔHf, kcal/mol:

346.3

Dipole, Da:

1.93

IP(EA), eV:

 -8.38(-1.4)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C(=CC=C2N3C4=C(C=C(C=C4)C5=CC6=C(C=C5)C7=CC=CC=C7O6)C8=CC=CC=C83)C9=NC(=NC(=N9)N1C2=C(C=C(C=C2)C2=CC3=C(C=C2)C2=CC=CC=C2O3)C2=CC=CC=C21)N1C2=C(C=C(C=C2)C2=CC3=C(C=C2)C2=CC=CC=C2O3)C2=CC=CC=C21

DOS

IR

Vibrations