Geometry & MOs

Info

ID:	253992
PubChem CID:	103122049
Reduced:	BrO2N5C10H10 (1)
Stoich.:	AB2C5D10E10 (1)
Weight, g/mol:	230.04399
ΔH_f, kcal/mol:	8.98
Dipole, Da:	5.09
IP(EA), eV:	-10.3(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-pyrazolo[1,5-a]pyridin-3-yl-1,2,4-oxadiazole-3-carboxylic acid

Drug info:

PubChemData

Smile

C1=CC(=NC=C1Br)CN2C(=C(N=N2)C(=O)O)CN

DOS

IR

Vibrations