Geometry & MOs

Info

ID:

377426

PubChem CID:

134223478

Reduced:

NOH14C24 (2)

Stoich.:

ABC14D24 (2)

Weight, g/mol:

690.267114

ΔHf, kcal/mol:

166.78

Dipole, Da:

1.01

IP(EA), eV:

 -8.1(-0.86)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-(12,12-dimethyl-11-phenylindeno[2,1-a]carbazol-9-yl)-12-phenyl-[1]benzofuro[2,3-a]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)C8=C(C=C6)C9=CC=CC=C9O8)C1=C2C2=C(C=C1)C1=CC=CC=C1O2

DOS

IR

Vibrations