Geometry & MOs

Info

ID:

317183

PubChem CID:

126632779

Reduced:

ON5H49C74 (1)

Stoich.:

AB5C49D74 (1)

Weight, g/mol:

1148.42026

ΔHf, kcal/mol:

307.31

Dipole, Da:

3.63

IP(EA), eV:

 -8.1(-0.88)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-[8-(3-dibenzofuran-2-ylcarbazol-9-yl)-3-[2-(9-phenylcarbazol-3-yl)carbazol-9-yl]quinoxalin-2-yl]-7,7-dimethylindeno[2,1-b]carbazole

Drug info:

PubChemData

Smile

CC1(C2=CC=CC=C2C3=C1C=C4C(=C3)C5=CC=CC=C5N4C6=NC(=C(C=C6)N7C8=C(C=C(C=C8)C9=CC1=C(C=C9)OC2=CC=CC=C21)C1=CC=CC=C17)N(C1=CC=CC=C1)C1=CC2=C(C=C1)C1=CC=CC=C1N2C1=CC=CC=C1)C

DOS

IR

Vibrations