Geometry & MOs

Info

ID:	288384
PubChem CID:	104316032
Reduced:	Br2O2N3H5C8 (1)
Stoich.:	A2B2C3D5E8 (1)
Weight, g/mol:	430.89149
ΔH_f, kcal/mol:	24.86
Dipole, Da:	3.17
IP(EA), eV:	-9.64(-1.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=C(C=NC(=C1Br)C2=NOC(=N2)CO)Br

DOS

IR

Vibrations