Geometry & MOs

Info

ID:	254248
PubChem CID:	103123677
Reduced:	ClON3H8C11 (1)
Stoich.:	ABC3D8E11 (1)
Weight, g/mol:	279.064391
ΔH_f, kcal/mol:	49.55
Dipole, Da:	5.79
IP(EA), eV:	-8.82(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-pyrazolo[1,5-a]pyridin-3-yl-1,3-benzoxazole-7-carboxylic acid

Drug info:

PubChemData

Smile

C1=CC2=C(C=NN2C=C1)C3=C(N=CO3)CCl

DOS

IR

Vibrations