Geometry & MOs

Info

ID:	362132
PubChem CID:	127305814
Reduced:	N3O3C17H23 (1)
Stoich.:	A3B3C17D23 (1)
Weight, g/mol:	383.19574
ΔH_f, kcal/mol:	-59.01
Dipole, Da:	5.58
IP(EA), eV:	-9.38(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CCN(C1)C(=O)C2CCCN(C2)C(=O)C3=NOC(=C3)C4CC4

DOS

IR

Vibrations