Geometry & MOs

Info

ID:	258110
PubChem CID:	103151072
Reduced:	F2O2N3C13H21 (1)
Stoich.:	A2B2C3D13E21 (1)
Weight, g/mol:	321.132254
ΔH_f, kcal/mol:	-143.45
Dipole, Da:	4.52
IP(EA), eV:	-9.05(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[3-[2-(2,2-difluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]-N-propylthiolan-3-amine

Drug info:

PubChemData

Smile

CNC1CCC(CC1)C2=NC(=NO2)CCOCC(F)F

DOS

IR

Vibrations