Geometry & MOs

Info

ID:	311677
PubChem CID:	126596862
Reduced:	ON2H24C38 (1)
Stoich.:	AB2C24D38 (1)
Weight, g/mol:	514.204513
ΔH_f, kcal/mol:	171.51
Dipole, Da:	4.72
IP(EA), eV:	-8.43(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[8-[2-(4a,9a-dihydrocarbazol-9-yl)phenyl]-1,2-dihydrodibenzofuran-2-yl]benzonitrile

Drug info:

PubChemData

Smile

C1C(=CC=CC=C1N2C3=CC=CC=C3C4=CC=CC=C42)C5=CC6=C(C=C5)OC7=C6C=C(C=C7)C8=CC=CC(=C8)C#N

DOS

IR

Vibrations