Geometry & MOs

Info

ID:

377621

PubChem CID:

134223684

Reduced:

ON3H33C54 (1)

Stoich.:

AB3C33D54 (1)

Weight, g/mol:

690.267114

ΔHf, kcal/mol:

221.09

Dipole, Da:

3.13

IP(EA), eV:

 -7.78(-0.87)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

9-(12,12-dimethyl-11-phenylindeno[2,1-a]carbazol-8-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)C6=C(N5C7=CC=CC=C7)C=C8C9=CC=CC=C9OC8=C6)C1=C2C=C2C3=CC=CC=C3N(C2=C1)C1=CC=CC=C1

DOS

IR

Vibrations