Geometry & MOs

Info

ID:	126259
PubChem CID:	50957898
Reduced:	OSN3C10H15 (1)
Stoich.:	ABC3D10E15 (1)
Weight, g/mol:	238.070205
ΔH_f, kcal/mol:	-22.48
Dipole, Da:	6.94
IP(EA), eV:	-8.58(0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[3-(3-methyl-1,2-oxazol-5-yl)-5-oxo-1H-1,2,4-triazol-4-yl]propanoic acid

Drug info:

PubChemData

Smile

CSCCC1=NC2=C(N1)CCCNC2=O

DOS

IR

Vibrations