Geometry & MOs

Info

ID:	330388
PubChem CID:	127247375
Reduced:	SO3N5C15H21 (1)
Stoich.:	AB3C5D15E21 (1)
Weight, g/mol:	351.136511
ΔH_f, kcal/mol:	-69.69
Dipole, Da:	6.81
IP(EA), eV:	-9.62(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-methylpyrazol-1-yl)-1-[2-(4-methylsulfonyl-1H-pyrazol-5-yl)piperidin-1-yl]ethanone

Drug info:

PubChemData

Smile

CS(=O)(=O)C1=C(NN=C1)C2CCCCN2C(=O)CCN3C=CN=C3

DOS

IR

Vibrations