Geometry & MOs

Info

ID:	306069
PubChem CID:	125001540
Reduced:	ClN2O3H19C20 (1)
Stoich.:	AB2C3D19E20 (1)
Weight, g/mol:	430.294391
ΔH_f, kcal/mol:	-63.92
Dipole, Da:	5.81
IP(EA), eV:	-9.39(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[5-[(2S)-1-(2-cyclopentylacetyl)piperidin-2-yl]-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-2,2-dimethylpropan-1-one

Drug info:

PubChemData

Smile

CC[C@@H](CN1C(=CC(=N1)C2=CC=C(C=C2)C(=O)O)C3=CC=C(C=C3)Cl)O

DOS

IR

Vibrations