Geometry & MOs

Info

ID:	366740
PubChem CID:	127320269
Reduced:	SO3N5C11H19 (1)
Stoich.:	AB3C5D11E19 (1)
Weight, g/mol:	296.105545
ΔH_f, kcal/mol:	-70.68
Dipole, Da:	3.35
IP(EA), eV:	-9.63(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1-methylpyrazol-4-yl)sulfonyl-3-(1,2,4-triazol-1-yl)piperidine

Drug info:

PubChemData

Smile

C1CC(CN(C1)S(=O)(=O)N2CCOCC2)N3C=NC=N3

DOS

IR

Vibrations