Geometry & MOs

Info

ID:

377565

PubChem CID:

134223623

Reduced:

ON4H40C61 (1)

Stoich.:

AB4C40D61 (1)

Weight, g/mol:

895.294725

ΔHf, kcal/mol:

243.83

Dipole, Da:

4.15

IP(EA), eV:

 -8.01(-0.9)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

7-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-10-(7-phenyl-[1]benzofuro[2,3-b]carbazol-10-yl)-[1]benzofuro[2,3-b]carbazole

Drug info:

PubChemData

Smile

CC1(C2=CC=CC=C2C3=C1C=C4C(=C3)C5=C(N4C6=CC=CC=C6)C=CC(=C5)C7=CC8=C(C=C7)C9=C(N8C1=NC(=CC(=N1)C1=CC=CC=C1)C1=CC=CC=C1)C=C1C(=C9)C2=CC=CC=C2O1)C

DOS

IR

Vibrations