Geometry & MOs

Info

ID:	439167
PubChem CID:	135228932
Reduced:	OSN3C8H11 (1)
Stoich.:	ABC3D8E11 (1)
Weight, g/mol:	198.115698
ΔH_f, kcal/mol:	15.82
Dipole, Da:	3.79
IP(EA), eV:	-9.03(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5S)-5-propyl-5H-imidazo[5,1-a]isoindole

Drug info:

PubChemData

Smile

COC(=C)CNC1=NC=C(C=N1)S

DOS

IR

Vibrations