Geometry & MOs

Info

ID:

377315

PubChem CID:

134223363

Reduced:

ON2H17C29 (2)

Stoich.:

AB2C17D29 (2)

Weight, g/mol:

844.320212

ΔHf, kcal/mol:

229.65

Dipole, Da:

2.68

IP(EA), eV:

 -8.23(-0.97)

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-2-yl]-7-phenyl-[1]benzofuro[2,3-b]carbazole

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC(=NC(=N2)N3C4=C(C=C(C=C4)C5=CC6=C(C=C5)C7=C(N6C8=CC=CC=C8)C=C9C(=C7)C1=CC=CC=C1O9)C1=C3C=C2C(=C1)C1=CC=CC=C1O2)C1=CC=CC=C1

DOS

IR

Vibrations