Geometry & MOs

Info

ID:	260665
PubChem CID:	103199332
Reduced:	NF3O3H10C13 (1)
Stoich.:	AB3C3D10E13 (1)
Weight, g/mol:	275.020556
ΔH_f, kcal/mol:	-225.48
Dipole, Da:	9.0
IP(EA), eV:	-9.97(-1.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)C2=NC(=C(O2)C(=O)O)C(F)(F)F

DOS

IR

Vibrations