Geometry & MOs

Info

ID:	260664
PubChem CID:	103199331
Reduced:	NF3O3H10C13 (1)
Stoich.:	AB3C3D10E13 (1)
Weight, g/mol:	285.061278
ΔH_f, kcal/mol:	-223.39
Dipole, Da:	7.1
IP(EA), eV:	-9.89(-1.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-ethylphenyl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxylic acid

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CCC2=NC(=C(O2)C(=O)O)C(F)(F)F

DOS

IR

Vibrations