Geometry & MOs

Info

ID:	365976
PubChem CID:	127319266
Reduced:	OF3N3H16C18 (1)
Stoich.:	AB3C3D16E18 (1)
Weight, g/mol:	372.125612
ΔH_f, kcal/mol:	-103.92
Dipole, Da:	3.17
IP(EA), eV:	-9.4(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(1-ethylsulfonylpiperidin-4-yl)-3-isoquinolin-1-yl-1,2,4-oxadiazole

Drug info:

PubChemData

Smile

C1CC(CC(C1)C(F)(F)F)C2=NC(=NO2)C3=NC=CC4=CC=CC=C43

DOS

IR

Vibrations