Geometry & MOs

Info

ID:	254199
PubChem CID:	103123354
Reduced:	O2F3N4C12H17 (1)
Stoich.:	A2B3C4D12E17 (1)
Weight, g/mol:	233.03559
ΔH_f, kcal/mol:	-210.96
Dipole, Da:	5.73
IP(EA), eV:	-9.44(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(chloromethyl)-5-pyrazolo[1,5-a]pyridin-3-yl-1,3-oxazole

Drug info:

PubChemData

Smile

C1CNCCC1C2=C(N=NN2CCCC(F)(F)F)C(=O)O

DOS

IR

Vibrations