Geometry & MOs

Info

ID:	203180
PubChem CID:	79790945
Reduced:	O2F3N3C10H14 (1)
Stoich.:	A2B3C3D10E14 (1)
Weight, g/mol:	253.067426
ΔH_f, kcal/mol:	-223.85
Dipole, Da:	4.83
IP(EA), eV:	-9.6(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,3,3-trifluoro-2-methyl-2-[(4-methyl-1,2,5-oxadiazol-3-yl)methylamino]propanoic acid

Drug info:

PubChemData

Smile

CCN1C=CN=C1CNC(C)(C(=O)O)C(F)(F)F

DOS

IR

Vibrations