Geometry & MOs

Info

ID:	311647
PubChem CID:	126596829
Reduced:	ON3H23C33 (1)
Stoich.:	AB3C23D33 (1)
Weight, g/mol:	601.215412
ΔH_f, kcal/mol:	145.51
Dipole, Da:	7.92
IP(EA), eV:	-8.53(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(1,2-dihydrocarbazol-9-yl)-2-(12-phenyl-[1]benzofuro[2,3-a]carbazol-3-yl)benzonitrile

Drug info:

PubChemData

Smile

CC1CC2=C(C=C1C#N)C3=C(N2C4=CC=CC=C4C5=CC6=C(C=C5)OC7=CC=CC=C76)C=CC(C3)C#N

DOS

IR

Vibrations