Geometry & MOs

Info

ID:	260663
PubChem CID:	103199317
Reduced:	NF3O3C10H12 (1)
Stoich.:	AB3C3D10E12 (1)
Weight, g/mol:	285.061278
ΔH_f, kcal/mol:	-266.48
Dipole, Da:	7.53
IP(EA), eV:	-11.0(-1.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC(C)(C)C1=NC(=C(O1)C(=O)O)C(F)(F)F

DOS

IR

Vibrations