Geometry & MOs

Info

ID:	298429
PubChem CID:	117649434
Reduced:	SN3H29C48 (1)
Stoich.:	AB3C29D48 (1)
Weight, g/mol:	739.262363
ΔH_f, kcal/mol:	246.85
Dipole, Da:	3.7
IP(EA), eV:	-8.18(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(9-carbazol-9-ylcarbazol-3-yl)-9-(4-dibenzofuran-2-ylphenyl)carbazole

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C3=CC=CC=C3N2N4C5=C(C=C(C=C5)C6=CC7=C(C=C6)N(C8=CC=CC=C87)C9=CC=CC1=C9SC2=CC=CC=C12)C1=CC=CC=C14

DOS

IR

Vibrations