Geometry & MOs

Info

ID:

377488

PubChem CID:

134223543

Reduced:

ON4H40C61 (1)

Stoich.:

AB4C40D61 (1)

Weight, g/mol:

844.320212

ΔHf, kcal/mol:

243.16

Dipole, Da:

4.72

IP(EA), eV:

 -8.19(-0.88)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-(7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-2-yl)-7-(4,6-diphenylpyrimidin-2-yl)-[1]benzofuro[2,3-b]carbazole

Drug info:

PubChemData

Smile

CC1(C2=C(C=C(C=C2)C3=CC4=C(C=C3)C5=C(N4C6=CC=CC=C6)C=C7C(=C5)C8=CC=CC=C8O7)C9=C1C=C1C(=C9)C2=CC=CC=C2N1C1=NC(=CC(=N1)C1=CC=CC=C1)C1=CC=CC=C1)C

DOS

IR

Vibrations