Geometry & MOs

Info

ID:

377662

PubChem CID:

134223726

Reduced:

ON2H17C29 (2)

Stoich.:

AB2C17D29 (2)

Weight, g/mol:

844.320212

ΔHf, kcal/mol:

229.26

Dipole, Da:

2.87

IP(EA), eV:

 -8.16(-0.94)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

9-[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=CC(=C4)C5=CC6=C(C=C5)N(C7=C6C=C8C9=CC=CC=C9OC8=C7)C1=CC=CC=C1)C1=C3C=C2C(=C1)C1=CC=CC=C1O2)C1=CC=CC=C1

DOS

IR

Vibrations