Geometry & MOs

Info

ID:	311676
PubChem CID:	126596861
Reduced:	ON3H33C44 (1)
Stoich.:	AB3C33D44 (1)
Weight, g/mol:	524.188863
ΔH_f, kcal/mol:	203.51
Dipole, Da:	3.01
IP(EA), eV:	-7.97(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[8-(6-carbazol-9-ylcyclohepta-1,3,5-trien-1-yl)dibenzofuran-2-yl]benzonitrile

Drug info:

PubChemData

Smile

C/C=C\C=C(/C#C)\N1C2C=CC3=C(C2C4=C1C=C(C=C4)C5=C(C=CC=C5N6C7=CC=CC=C7C8=CC=CC=C86)NC)OC9=CC=CC=C39

DOS

IR

Vibrations