Geometry & MOs

Info

ID:	370417
PubChem CID:	127338580
Reduced:	ON2C8H10 (2)
Stoich.:	AB2C8D10 (2)
Weight, g/mol:	317.185175
ΔH_f, kcal/mol:	-2.46
Dipole, Da:	5.25
IP(EA), eV:	-9.66(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(1,2,4-oxadiazol-3-yl)piperidin-1-yl]-2-(1,3,5-trimethylpyrazol-4-yl)propan-1-one

Drug info:

PubChemData

Smile

CC(CC(=O)N1CCCCC1C2=NOC=N2)C3=CN=CC=C3

DOS

IR

Vibrations