Geometry & MOs

Info

ID:

317188

PubChem CID:

126632797

Reduced:

ON7H53C82 (1)

Stoich.:

AB7C53D82 (1)

Weight, g/mol:

1466.544065

ΔHf, kcal/mol:

370.17

Dipole, Da:

1.95

IP(EA), eV:

 -8.12(-1.16)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-[4-[4-[2,7-bis(9-phenylcarbazol-3-yl)carbazol-9-yl]naphthalen-1-yl]-6-(3-dibenzofuran-2-ylcarbazol-9-yl)pyrimidin-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=CC=C(C2=CC=CC=C21)N(C1=CC=CC=C1)C1=CC2=C(C=C1)C1=CC=CC=C1N2C1=CC=CC=C1)C

DOS

IR

Vibrations