Geometry & MOs

Info

ID:	216053
PubChem CID:	85085637
Reduced:	ClNPO4C5H13 (1)
Stoich.:	ABCD4E5F13 (1)
Weight, g/mol:	226.052447
ΔH_f, kcal/mol:	-256.46
Dipole, Da:	3.09
IP(EA), eV:	-9.63(0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-thiophen-2-yl-3,3a,4,6,7,7a-hexahydro-1H-[1,2,5]oxadiazolo[3,4-b]pyrazin-5-one

Drug info:

PubChemData

Smile

COP(=O)(O)OCCNCCCl

DOS

IR

Vibrations