Geometry & MOs

Info

ID:

377641

PubChem CID:

134223705

Reduced:

ON4H40C61 (1)

Stoich.:

AB4C40D61 (1)

Weight, g/mol:

844.320212

ΔHf, kcal/mol:

242.86

Dipole, Da:

1.4

IP(EA), eV:

 -8.15(-0.93)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

10-[5-(4,6-diphenylpyrimidin-2-yl)-7,7-dimethylindeno[2,1-b]carbazol-10-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=C1C=C1C(=C9)C2=CC=CC=C2N1C1=NC(=NC(=C1)C1=CC=CC=C1)C1=CC=CC=C1)C

DOS

IR

Vibrations