Geometry & MOs

Info

ID:

377280

PubChem CID:

134223327

Reduced:

SN2O2H34C60 (1)

Stoich.:

AB2C2D34E60 (1)

Weight, g/mol:

830.256943

ΔHf, kcal/mol:

209.68

Dipole, Da:

2.92

IP(EA), eV:

 -8.04(-0.72)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)N2C3=C(C=C(C=C3)C4=CC5=C(C=C4)N(C6=C5C=C7C8=CC=CC=C8OC7=C6)C9=CC=C(C=C9)C1=CC=CC3=C1SC1=CC=CC=C31)C1=C2C=C2C(=C1)C1=CC=CC=C1O2

DOS

IR

Vibrations