Geometry & MOs

Info

ID:

377481

PubChem CID:

134223536

Reduced:

ON5H43C66 (1)

Stoich.:

AB5C43D66 (1)

Weight, g/mol:

844.320212

ΔHf, kcal/mol:

279.21

Dipole, Da:

2.96

IP(EA), eV:

 -8.06(-1.28)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

9-(7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-10-yl)-7-(4,6-diphenylpyrimidin-2-yl)-[1]benzofuro[2,3-b]carbazole

Drug info:

PubChemData

Smile

CC1(C2=CC=CC=C2C3=C1C=C4C(=C3)C5=C(N4C6=CC=CC(=C6)C7=NC(=NC(=N7)C8=CC=CC=C8)C9=CC=CC=C9)C=C(C=C5)C1=CC2=C(C=C1)OC1=C2C=C2C3=CC=CC=C3N(C2=C1)C1=CC=CC=C1)C

DOS

IR

Vibrations