Geometry & MOs

Info

ID:	288102
PubChem CID:	104311163
Reduced:	BrN3O3H10C12 (1)
Stoich.:	AB3C3D10E12 (1)
Weight, g/mol:	296.9749
ΔH_f, kcal/mol:	7.02
Dipole, Da:	3.26
IP(EA), eV:	-9.94(-1.32)
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]propanoic acid

Drug info:

PubChemData

Smile

COC(=O)C1(CC1)C2=NC(=NO2)C3=NC=C(C=C3)Br

DOS

IR

Vibrations