Geometry & MOs

Info

ID:	438804
PubChem CID:	135228561
Reduced:	NC4H5 (3)
Stoich.:	AB4C5 (3)
Weight, g/mol:	338.235814
ΔH_f, kcal/mol:	49.36
Dipole, Da:	2.71
IP(EA), eV:	-9.33(0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(2-butan-2-yloxy-2-cyclohexylethyl)-5H-imidazo[5,1-a]isoindole

Drug info:

PubChemData

Smile

C1CCC2[C@@H](C1)C(N3C2=CN=C3)CC#N

DOS

IR

Vibrations