Geometry & MOs

Info

ID:	21288
PubChem CID:	587849
Reduced:	NF3O4C7H8 (1)
Stoich.:	AB3C4D7E8 (1)
Weight, g/mol:	227.040542
ΔH_f, kcal/mol:	-312.85
Dipole, Da:	3.87
IP(EA), eV:	-10.72(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-oxo-2-[(2,2,2-trifluoroacetyl)amino]butanoate

Drug info:

PubChemData

Smile

COC(=O)C(CC=O)NC(=O)C(F)(F)F

DOS

IR

Vibrations