Geometry & MOs

Info

ID:	288382
PubChem CID:	104316017
Reduced:	BrO2F3N3H7C10 (1)
Stoich.:	AB2C3D3E7F10 (1)
Weight, g/mol:	392.91467
ΔH_f, kcal/mol:	-147.55
Dipole, Da:	2.74
IP(EA), eV:	-9.47(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-(3,5-dibromopyridin-2-yl)-1,2,4-oxadiazol-5-yl]-3-methoxypropan-2-ol

Drug info:

PubChemData

Smile

C1=CC(=C(N=C1)C2=NOC(=N2)CC(C(F)(F)F)O)Br

DOS

IR

Vibrations