Geometry & MOs

Info

ID:

377281

PubChem CID:

134223329

Reduced:

N2O3H34C60 (1)

Stoich.:

A2B3C34D60 (1)

Weight, g/mol:

872.286135

ΔHf, kcal/mol:

179.64

Dipole, Da:

1.11

IP(EA), eV:

 -8.07(-0.75)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

7-(4-dibenzothiophen-2-ylphenyl)-10-(7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-2-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=CC=C9)C1=CC3=C(C=C12)OC1=C3C=C(C=C1)C1=CC2=C(C=C1)OC1=CC=CC=C12

DOS

IR

Vibrations