Geometry & MOs

Info

ID:	258111
PubChem CID:	103151083
Reduced:	SF2O2N3C13H21 (1)
Stoich.:	AB2C2D3E13F21 (1)
Weight, g/mol:	303.175833
ΔH_f, kcal/mol:	-137.55
Dipole, Da:	2.72
IP(EA), eV:	-8.93(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCNC1CSCC1C2=NC(=NO2)CCOCC(F)F

DOS

IR

Vibrations