Geometry & MOs

Info

ID:	260994
PubChem CID:	103213418
Reduced:	ClINO3C15H15 (1)
Stoich.:	ABCD3E15F15 (1)
Weight, g/mol:	309.118793
ΔH_f, kcal/mol:	-71.02
Dipole, Da:	0.13
IP(EA), eV:	-9.58(-1.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4-(2-methylpropyl)-2-(2,2,2-trifluoroethoxymethyl)-1,3-oxazole-5-carboxylate

Drug info:

PubChemData

Smile

CC(C)(C)C1=C(OC(=N1)C2=CC(=C(C=C2)I)Cl)C(=O)OC

DOS

IR

Vibrations