Geometry & MOs

Info

ID:	315972
PubChem CID:	126629517
Reduced:	ON3H37C61 (1)
Stoich.:	AB3C37D61 (1)
Weight, g/mol:	798.303499
ΔH_f, kcal/mol:	459.66
Dipole, Da:	3.34
IP(EA), eV:	-7.83(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

11,11'-bis(3-phenylphenyl)-12,12'-spirobi[indeno[2,1-a]carbazole]

Drug info:

Smile

C1=CC=C(C=C1)N2C3=C(C=C(C=C3)N4C5=CC=CC=C5OC6=CC=CC=C64)C7=C2C8=C(C=C7)C9=CC=CC=C9C81C2=C(C3=CC=CC=C13)C1=C(C=C2)C2=CC=CC=C2N1C1=CC=CC=C1

DOS

IR

Vibrations