Geometry & MOs

Info

ID:

317191

PubChem CID:

126632809

Reduced:

ON8H66C106 (1)

Stoich.:

AB8C66D106 (1)

Weight, g/mol:

1225.446809

ΔHf, kcal/mol:

474.63

Dipole, Da:

1.92

IP(EA), eV:

 -8.08(-1.31)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-[4-(3-dibenzofuran-2-ylcarbazol-9-yl)-6-[4-[2-(9-phenylcarbazol-3-yl)carbazol-9-yl]naphthalen-1-yl]-1,3,5-triazin-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(=NC(=N6)N7C8=C(C=C(C=C8)C9=CC1=C(C=C9)OC2=CC=CC=C21)C1=CC=CC=C17)C1=CC2=C(C=C1)C=C(C=C2)N1C2=C(C=CC(=C2)C2=CC3=C(C=C2)N(C2=CC=CC=C23)C2=CC=CC=C2)C2=C1C=C(C=C2)C1=CC2=C(C=C1)N(C1=CC=CC=C12)C1=CC=CC=C1)C

DOS

IR

Vibrations