Geometry & MOs

Info

ID:	257423
PubChem CID:	103146035
Reduced:	O2F3N4C11H11 (1)
Stoich.:	A2B3C4D11E11 (1)
Weight, g/mol:	364.99867
ΔH_f, kcal/mol:	-143.58
Dipole, Da:	7.31
IP(EA), eV:	-9.05(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC(=C(N=C1)C2=NC(=NO2)CCOCC(F)(F)F)N

DOS

IR

Vibrations