Geometry & MOs

Info

ID:	424324
PubChem CID:	135122199
Reduced:	N4O5C17H20 (1)
Stoich.:	A4B5C17D20 (1)
Weight, g/mol:	196.993592
ΔH_f, kcal/mol:	-173.04
Dipole, Da:	5.29
IP(EA), eV:	-9.27(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-oxo-1,2-oxazol-5-yl) 2,2,2-trifluoroacetate

Drug info:

PubChemData

Smile

C1COCCN1C(=O)C2=CC3=C(C=C2)NC(=C3)C(=O)NCCNC(=O)O

DOS

IR

Vibrations