Geometry & MOs

Info

ID:	310272
PubChem CID:	126577754
Reduced:	N2O2H20C37 (1)
Stoich.:	A2B2C20D37 (1)
Weight, g/mol:	565.124883
ΔH_f, kcal/mol:	136.93
Dipole, Da:	2.27
IP(EA), eV:	-8.5(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-[2-([1]benzothiolo[2,3-a]carbazol-12-yl)-6-cyanophenyl]dibenzofuran-2-carbonitrile

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C3=C(N2C4=C(C=C(C=C4)C#N)C5=CC6=C(C=C5)OC7=CC=CC=C76)C8=C(C=C3)OC9=CC=CC=C98

DOS

IR

Vibrations