Geometry & MOs

Info

ID:

377549

PubChem CID:

134223607

Reduced:

ON4H40C61 (1)

Stoich.:

AB4C40D61 (1)

Weight, g/mol:

842.329714

ΔHf, kcal/mol:

244.23

Dipole, Da:

1.89

IP(EA), eV:

 -8.02(-0.95)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

10-(7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-2-yl)-7-(3,5-diphenylphenyl)-[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=C(C=C5)C7=CC8=C(C=C7)N(C9=C8C=C1C2=CC=CC=C2OC1=C9)C1=NC(=CC(=N1)C1=CC=CC=C1)C1=CC=CC=C1)C

DOS

IR

Vibrations