Geometry & MOs

Info

ID:	257430
PubChem CID:	103146102
Reduced:	F3N3O3C11H16 (1)
Stoich.:	A3B3C3D11E16 (1)
Weight, g/mol:	253.103811
ΔH_f, kcal/mol:	-223.56
Dipole, Da:	6.41
IP(EA), eV:	-9.76(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R)-1-[3-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]propan-1-amine

Drug info:

PubChemData

Smile

COC1CC(NC1)C2=NC(=NO2)CCOCC(F)(F)F

DOS

IR

Vibrations