Geometry & MOs

Info

ID:	258103
PubChem CID:	103150980
Reduced:	F2N2O3C8H12 (1)
Stoich.:	A2B2C3D8E12 (1)
Weight, g/mol:	311.091532
ΔH_f, kcal/mol:	-178.41
Dipole, Da:	3.39
IP(EA), eV:	-10.54(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-methyl-4-[3-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]thiolan-3-amine

Drug info:

PubChemData

Smile

CC(C1=NC(=NO1)CCOCC(F)F)O

DOS

IR

Vibrations