Geometry & MOs

Info

ID:

377733

PubChem CID:

134223797

Reduced:

ON4H40C61 (1)

Stoich.:

AB4C40D61 (1)

Weight, g/mol:

920.351512

ΔHf, kcal/mol:

244.5

Dipole, Da:

1.58

IP(EA), eV:

 -8.02(-0.9)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1(C2=CC=CC=C2C3=C1C=C4C(=C3)C5=C(N4C6=CC=CC=C6)C=CC(=C5)C7=CC8=C(C=C7)OC9=C8C=C1C2=CC=CC=C2N(C1=C9)C1=NC(=CC(=N1)C1=CC=CC=C1)C1=CC=CC=C1)C

DOS

IR

Vibrations