Geometry & MOs

Info

ID:	260669
PubChem CID:	103199481
Reduced:	INF3O3H9C13 (1)
Stoich.:	ABC3D3E9F13 (1)
Weight, g/mol:	293.087492
ΔH_f, kcal/mol:	-208.65
Dipole, Da:	6.86
IP(EA), eV:	-8.96(-1.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-(oxan-4-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(N=C(O1)C2=CC=CC=C2I)C(F)(F)F

DOS

IR

Vibrations