Geometry & MOs

Info

ID:

316882

PubChem CID:

126631923

Reduced:

ON2H22C37 (3)

Stoich.:

AB2C22D37 (3)

Weight, g/mol:

1351.46548

ΔHf, kcal/mol:

437.59

Dipole, Da:

2.02

IP(EA), eV:

 -8.34(-1.29)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

9-[3-[6-[3-[2-(9H-carbazol-2-yl)carbazol-9-yl]phenyl]-2-[6-(2-dibenzofuran-3-ylcarbazol-9-yl)naphthalen-2-yl]pyrimidin-4-yl]phenyl]-2-dibenzofuran-3-ylcarbazole

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C3=C(N2C4=CC=C(C=C4)C5=CC=C(C=C5)C6=NC(=NC(=N6)C7=CC=C(C=C7)C8=CC=C(C=C8)N9C1=CC=CC=C1C1=C9C=C(C=C1)C1=CC2=C(C=C1)C1=CC=CC=C1O2)C1=CC=C(C=C1)C1=CC=C(C=C1)N1C2=CC=CC=C2C2=C1C=C(C=C2)C1=CC2=C(C=C1)C1=CC=CC=C1O2)C=C(C=C3)C1=CC2=C(C=C1)C1=CC=CC=C1O2

DOS

IR

Vibrations