Geometry & MOs

Info

ID:	254200
PubChem CID:	103123359
Reduced:	ClON3H8C11 (1)
Stoich.:	ABC3D8E11 (1)
Weight, g/mol:	262.062139
ΔH_f, kcal/mol:	51.49
Dipole, Da:	4.31
IP(EA), eV:	-8.72(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-chloropropyl)-5-pyrazolo[1,5-a]pyrazin-3-yl-1,3-oxazole

Drug info:

PubChemData

Smile

C1=CC2=C(C=NN2C=C1)C3=CN=C(O3)CCl

DOS

IR

Vibrations