Geometry & MOs

Info

ID:

377727

PubChem CID:

134223791

Reduced:

ON2H17C29 (2)

Stoich.:

AB2C17D29 (2)

Weight, g/mol:

920.351512

ΔHf, kcal/mol:

229.9

Dipole, Da:

2.63

IP(EA), eV:

 -8.16(-0.93)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC(=NC(=N2)N3C4=CC=CC=C4C5=CC6=C(C=C53)OC7=C6C=C(C=C7)C8=CC9=C(C=C8)N(C1=C9C=C2C3=CC=CC=C3OC2=C1)C1=CC=CC=C1)C1=CC=CC=C1

DOS

IR

Vibrations