Geometry & MOs

Info

ID:	257405
PubChem CID:	103145869
Reduced:	BrN2O2F3C9H12 (1)
Stoich.:	AB2C2D3E9F12 (1)
Weight, g/mol:	321.049189
ΔH_f, kcal/mol:	-198.22
Dipole, Da:	3.09
IP(EA), eV:	-10.67(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-chloro-4-[3-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]aniline

Drug info:

PubChemData

Smile

CCC(C1=NC(=NO1)CCOCC(F)(F)F)Br

DOS

IR

Vibrations