Geometry & MOs

Info

ID:	258105
PubChem CID:	103151016
Reduced:	O2F3N3C12H20 (1)
Stoich.:	A2B3C3D12E20 (1)
Weight, g/mol:	307.150761
ΔH_f, kcal/mol:	-205.52
Dipole, Da:	4.82
IP(EA), eV:	-9.24(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-cyclopropyl-N-ethyl-2-[3-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]ethanamine

Drug info:

PubChemData

Smile

CCC(CC1=NC(=NO1)CCOCC(F)(F)F)NCC

DOS

IR

Vibrations