Geometry & MOs

Info

ID:	385915
PubChem CID:	134980317
Reduced:	F3O3C10H11 (1)
Stoich.:	A3B3C10D11 (1)
Weight, g/mol:	208.034729
ΔH_f, kcal/mol:	-258.86
Dipole, Da:	5.33
IP(EA), eV:	-10.79(-0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,2S,3R,4R)-3-(trifluoromethyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-carboxylic acid

Drug info:

PubChemData

Smile

CCOC(=O)[C@H]1[C@@H]2C=C[C@H]([C@H]1C(F)(F)F)O2

DOS

IR

Vibrations