Geometry & MOs

Info

ID:	278001
PubChem CID:	103832573
Reduced:	NOC5H7 (3)
Stoich.:	ABC5D7 (3)
Weight, g/mol:	279.137162
ΔH_f, kcal/mol:	-45.93
Dipole, Da:	1.19
IP(EA), eV:	-8.34(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-naphthalen-1-yl-5-[(2S)-piperidin-2-yl]-1,2,4-oxadiazole

Drug info:

PubChemData

Smile

CCC[C@H](C1=NC(=NO1)CC2=CC(=C(C=C2)OC)OC)N

DOS

IR

Vibrations