Geometry & MOs

Info

ID:	330269
PubChem CID:	127247256
Reduced:	OSN3C16H19 (1)
Stoich.:	ABC3D16E19 (1)
Weight, g/mol:	303.169525
ΔH_f, kcal/mol:	15.81
Dipole, Da:	7.51
IP(EA), eV:	-9.1(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CCN(C(C1)C2=CC=NN2)C(=O)C3=CC4=C(S3)CCC4

DOS

IR

Vibrations