Geometry & MOs

Info

ID:

377364

PubChem CID:

134223413

Reduced:

ON3H33C54 (1)

Stoich.:

AB3C33D54 (1)

Weight, g/mol:

845.315461

ΔHf, kcal/mol:

218.42

Dipole, Da:

2.22

IP(EA), eV:

 -7.98(-0.59)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)N2C3=C(C=C(C=C3)C4=CC5=C(C=C4)OC6=C5C=C7C8=CC=CC=C8N(C7=C6)C9=CC=CC=C9)C1=C2C=C2C(=C1)C1=CC=CC=C1N2C1=CC=CC=C1

DOS

IR

Vibrations