Geometry & MOs

Info

ID:	137020
PubChem CID:	52139204
Reduced:	OSN4C13H20 (1)
Stoich.:	ABC4D13E20 (1)
Weight, g/mol:	289.171617
ΔH_f, kcal/mol:	15.22
Dipole, Da:	7.94
IP(EA), eV:	-8.97(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

2-[[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]methyl]-5-(4-fluorophenyl)-1,3-oxazole

Drug info:

PubChemData

Smile

C[C@H](C(=O)NC)SC1=NN=C(N1CC=C)C2CCC2

DOS

IR

Vibrations