Geometry & MOs

Info

ID:	288395
PubChem CID:	104316164
Reduced:	OBr2N4C12H14 (1)
Stoich.:	AB2C4D12E14 (1)
Weight, g/mol:	297.01129
ΔH_f, kcal/mol:	52.95
Dipole, Da:	3.08
IP(EA), eV:	-9.3(-1.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C1=NC(=NO1)C2=C(C=C(C=N2)Br)Br)C(C)NC

DOS

IR

Vibrations