Geometry & MOs

Info

ID:

377575

PubChem CID:

134223634

Reduced:

N2O3H34C60 (1)

Stoich.:

A2B3C34D60 (1)

Weight, g/mol:

690.267114

ΔHf, kcal/mol:

179.95

Dipole, Da:

1.28

IP(EA), eV:

 -8.07(-0.73)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

9-(7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-2-yl)-11-phenyl-[1]benzofuro[3,2-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=CC3=C(C=C1)OC1=CC=CC=C13)C1=C2C=C2C(=C1)C1=CC=CC=C1O2

DOS

IR

Vibrations