Geometry & MOs

Info

ID:	365973
PubChem CID:	127319262
Reduced:	ON2C10H10 (2)
Stoich.:	AB2C10D10 (2)
Weight, g/mol:	364.189926
ΔH_f, kcal/mol:	24.67
Dipole, Da:	5.79
IP(EA), eV:	-9.51(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-(3-isoquinolin-1-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-2-methylbutan-1-one

Drug info:

PubChemData

Smile

C1CCC(C1)N2CC(CC2=O)C3=NC(=NO3)C4=NC=CC5=CC=CC=C54

DOS

IR

Vibrations