Geometry & MOs

Info

ID:	257408
PubChem CID:	103145917
Reduced:	O2F3N3C10H16 (1)
Stoich.:	A2B3C3D10E16 (1)
Weight, g/mol:	299.091532
ΔH_f, kcal/mol:	-191.44
Dipole, Da:	3.73
IP(EA), eV:	-9.21(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CNCCCC1=NC(=NO1)CCOCC(F)(F)F

DOS

IR

Vibrations