Geometry & MOs

Info

ID:

317066

PubChem CID:

126632412

Reduced:

O3N5H59C105 (1)

Stoich.:

A3B5C59D105 (1)

Weight, g/mol:

1352.449496

ΔHf, kcal/mol:

416.41

Dipole, Da:

1.36

IP(EA), eV:

 -8.25(-1.43)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C3=CC=CC=C3C24C5=C(C=CC(=C5)C6=NC(=NC7=C6C=C(C=C7)N8C9=C(C=C(C=C9)C1=CC2=C(C=C1)OC1=CC=CC=C12)C1=CC=CC=C18)N1C2=C(C=C(C=C2)C2=CC3=C(C=C2)OC2=CC=CC=C23)C2=CC=CC=C21)C1=C4C=C(C=C1)N1C2=C(C=C(C=C2)C2=CC3=C(C=C2)OC2=CC=CC=C23)C2=CC=CC=C21

DOS

IR

Vibrations