Geometry & MOs

Info

ID:	422483
PubChem CID:	135117911
Reduced:	ClN3O3C16H20 (1)
Stoich.:	AB3C3D16E20 (1)
Weight, g/mol:	369.216475
ΔH_f, kcal/mol:	-108.56
Dipole, Da:	8.77
IP(EA), eV:	-9.71(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[2-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)ethylamino]pyridin-4-yl]-piperidin-1-ylmethanone

Drug info:

PubChemData

Smile

CN1CCC[C@]2([C@H]1CN(CC2)C(=O)C3=NC=C(C=C3)Cl)C(=O)O

DOS

IR

Vibrations