Geometry & MOs

Info

ID:	257413
PubChem CID:	103145976
Reduced:	F3N3O3C8H12 (1)
Stoich.:	A3B3C3D8E12 (1)
Weight, g/mol:	364.99867
ΔH_f, kcal/mol:	-226.91
Dipole, Da:	3.87
IP(EA), eV:	-10.3(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C(COCC(F)(F)F)C1=NOC(=N1)C(CO)N

DOS

IR

Vibrations