Geometry & MOs

Info

ID:

317083

PubChem CID:

126632447

Reduced:

O3N4H44C77 (1)

Stoich.:

A3B4C44D77 (1)

Weight, g/mol:

1399.385716

ΔHf, kcal/mol:

284.76

Dipole, Da:

2.79

IP(EA), eV:

 -8.24(-1.16)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

9-[3-[4,5-bis[3-(3-dibenzothiophen-2-ylcarbazol-9-yl)phenyl]quinolin-6-yl]phenyl]-3-dibenzothiophen-2-ylcarbazole

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C3=C(N2C4=C(N=C(C=C4)N5C6=C(C=C(C=C6)C7=CC8=C(C=C7)OC9=CC=CC=C98)C1=CC=CC=C15)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