Geometry & MOs

Info

ID:	304604
PubChem CID:	124756471
Reduced:	N3O3C17H25 (1)
Stoich.:	A3B3C17D25 (1)
Weight, g/mol:	338.185509
ΔH_f, kcal/mol:	-49.93
Dipole, Da:	5.35
IP(EA), eV:	-9.05(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[[(2S)-2-(2-pyrazol-1-ylethyl)piperidin-1-yl]methyl]-3-pyridin-4-yl-1,2,4-oxadiazole

Drug info:

PubChemData

Smile

COCCC1=NOC(=N1)[C@H]2CCCCN2CCCC3=CC=CO3

DOS

IR

Vibrations