Geometry & MOs

Info

ID:	257424
PubChem CID:	103146041
Reduced:	BrO2F3N3H11C12 (1)
Stoich.:	AB2C3D3E11F12 (1)
Weight, g/mol:	281.135111
ΔH_f, kcal/mol:	-157.41
Dipole, Da:	4.21
IP(EA), eV:	-9.16(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations