Geometry & MOs

Info

ID:	254246
PubChem CID:	103123675
Reduced:	O3N4C14H24 (1)
Stoich.:	A3B4C14D24 (1)
Weight, g/mol:	234.030839
ΔH_f, kcal/mol:	-83.91
Dipole, Da:	4.9
IP(EA), eV:	-8.99(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(chloromethyl)-5-pyrazolo[1,5-a]pyrazin-3-yl-1,3-oxazole

Drug info:

PubChemData

Smile

CCOCCCN1C(=C(N=N1)C(=O)OC)C2CCNCC2

DOS

IR

Vibrations