Geometry & MOs

Info

ID:	294258
PubChem CID:	117443819
Reduced:	NF3O3C12H14 (1)
Stoich.:	AB3C3D12E14 (1)
Weight, g/mol:	277.095023
ΔH_f, kcal/mol:	-271.26
Dipole, Da:	9.69
IP(EA), eV:	-9.49(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(5-ethyl-2,3-dimethoxyphenyl)-1,2-oxazole-5-carboxylic acid

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1C(CCC(=O)O)N)C(F)(F)F

DOS

IR

Vibrations