Geometry & MOs

Info

ID:

377336

PubChem CID:

134223384

Reduced:

ON3H33C54 (1)

Stoich.:

AB3C33D54 (1)

Weight, g/mol:

920.351512

ΔHf, kcal/mol:

222.0

Dipole, Da:

3.2

IP(EA), eV:

 -7.76(-0.68)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)N2C3=C(C=C(C=C3)C4=CC5=C(C=C4)C6=C(N5C7=CC=CC=C7)C=CC8=C6OC9=CC=CC=C89)C1=C2C=CC2=C1C1=CC=CC=C1N2C1=CC=CC=C1

DOS

IR

Vibrations