Geometry & MOs

Info

ID:

317163

PubChem CID:

126632696

Reduced:

ON7H53C86 (1)

Stoich.:

AB7C53D86 (1)

Weight, g/mol:

1198.399525

ΔHf, kcal/mol:

405.84

Dipole, Da:

2.69

IP(EA), eV:

 -8.04(-1.45)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[9-[2,4-bis(3-dibenzofuran-2-ylcarbazol-9-yl)quinazolin-6-yl]carbazol-3-yl]-9-phenylcarbazole

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)N2C3=C(C=C(C=C3)C4=CC5=C(C=C4)N(C6=CC=CC=C65)C7=CC8=C(C=C7)N=C(N=C8N9C1=C(C=C(C=C1)N(C1=CC=CC=C1)C1=CC=CC=C1)C1=CC=CC=C19)N1C3=C(C=C(C=C3)C3=CC4=C(C=C3)OC3=CC=CC=C34)C3=CC=CC=C31)C1=CC=CC=C12

DOS

IR

Vibrations