Geometry & MOs

Info

ID:

377365

PubChem CID:

134223414

Reduced:

ON5H39C60 (1)

Stoich.:

AB5C39D60 (1)

Weight, g/mol:

895.294725

ΔHf, kcal/mol:

256.9

Dipole, Da:

1.84

IP(EA), eV:

 -8.16(-1.12)

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-9-yl)-[1]benzofuro[2,3-b]carbazole

Drug info:

PubChemData

Smile

CC1(C2=C(C=C(C=C2)C3=CC4=C(C=C3)N(C5=C4C=C6C7=CC=CC=C7OC6=C5)C8=CC=CC=C8)C9=C1C=C1C(=C9)C2=CC=CC=C2N1C1=NC(=NC(=N1)C1=CC=CC=C1)C1=CC=CC=C1)C

DOS

IR

Vibrations