Geometry & MOs

Info

ID:

377458

PubChem CID:

134223511

Reduced:

ON4H44C67 (1)

Stoich.:

AB4C44D67 (1)

Weight, g/mol:

1428.517181

ΔHf, kcal/mol:

265.68

Dipole, Da:

4.09

IP(EA), eV:

 -8.04(-0.94)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

9-(12,12-dimethyl-5-phenylindeno[1,2-c]carbazol-2-yl)-4-[5,12-diphenyl-2-(7-phenyl-[1]benzofuro[2,3-b]carbazol-9-yl)indolo[3,2-c]carbazol-9-yl]-7-phenyl-[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(=NC(=C9)C2=CC=CC=C2)C2=CC=CC=C2)C2=C1C=C1C(=C2)C2=CC=CC=C2N1C1=CC=CC=C1)C

DOS

IR

Vibrations