Geometry & MOs

Info

ID:

377353

PubChem CID:

134223402

Reduced:

ON4H40C61 (1)

Stoich.:

AB4C40D61 (1)

Weight, g/mol:

714.205576

ΔHf, kcal/mol:

245.81

Dipole, Da:

2.97

IP(EA), eV:

 -8.03(-0.92)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[10-[7-(3-cyanophenyl)-[1]benzofuro[2,3-b]carbazol-10-yl]-[1]benzofuro[2,3-b]carbazol-7-yl]benzonitrile

Drug info:

PubChemData

Smile

CC1(C2=C(C=C(C=C2)C3=CC4=C(C=C3)N(C5=C4C=C6C7=CC=CC=C7OC6=C5)C8=NC(=CC(=N8)C9=CC=CC=C9)C2=CC=CC=C2)C2=C1C=C1C(=C2)C2=CC=CC=C2N1C1=CC=CC=C1)C

DOS

IR

Vibrations