Geometry & MOs

Info

ID:	288381
PubChem CID:	104316008
Reduced:	BrO2N3C13H14 (1)
Stoich.:	AB2C3D13E14 (1)
Weight, g/mol:	336.96737
ΔH_f, kcal/mol:	-6.42
Dipole, Da:	1.45
IP(EA), eV:	-9.38(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[3-(3-bromopyridin-2-yl)-1,2,4-oxadiazol-5-yl]-1,1,1-trifluoropropan-2-ol

Drug info:

PubChemData

Smile

C1CC(CCC1C2=NC(=NO2)C3=C(C=CC=N3)Br)O

DOS

IR

Vibrations