Geometry & MOs

Info

ID:

377278

PubChem CID:

134223325

Reduced:

ON2H42C60 (1)

Stoich.:

AB2C42D60 (1)

Weight, g/mol:

780.277678

ΔHf, kcal/mol:

184.31

Dipole, Da:

2.8

IP(EA), eV:

 -7.99(-0.65)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

7-dibenzofuran-2-yl-10-(7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-2-yl)-[1]benzofuro[2,3-b]carbazole

Drug info:

PubChemData

Smile

CC1(C2=CC=CC=C2C3=C1C=C(C=C3)N4C5=C(C=C(C=C5)C6=CC7=C(C=C6)N(C8=CC9=C(C=C87)C1=CC=CC=C1C9(C)C)C1=CC=CC=C1)C1=C4C=C2C(=C1)C1=CC=CC=C1O2)C

DOS

IR

Vibrations