Geometry & MOs

Info

ID:	257414
PubChem CID:	103145978
Reduced:	BrO2F3N3H11C12 (1)
Stoich.:	AB2C3D3E11F12 (1)
Weight, g/mol:	281.135111
ΔH_f, kcal/mol:	-156.85
Dipole, Da:	5.45
IP(EA), eV:	-8.99(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1Br)C2=NC(=NO2)CCOCC(F)(F)F)N

DOS

IR

Vibrations