Geometry & MOs

Info

ID:	248643
PubChem CID:	103083264
Reduced:	BrON3C13H14 (1)
Stoich.:	ABC3D13E14 (1)
Weight, g/mol:	321.04767
ΔH_f, kcal/mol:	60.74
Dipole, Da:	1.23
IP(EA), eV:	-9.6(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)Br)C2=NOC(=N2)CNCC=C

DOS

IR

Vibrations