Geometry & MOs

Info

ID:

377465

PubChem CID:

134223518

Reduced:

ON4H44C67 (1)

Stoich.:

AB4C44D67 (1)

Weight, g/mol:

845.315461

ΔHf, kcal/mol:

266.59

Dipole, Da:

3.71

IP(EA), eV:

 -8.0(-1.06)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-(7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-2-yl)-7-(4,6-diphenyl-1,3,5-triazin-2-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=NC(=CC(=N9)C2=CC=CC=C2)C2=CC=CC=C2)C2=C1C=C1C(=C2)C2=CC=CC=C2N1C1=CC=CC=C1)C

DOS

IR

Vibrations