Geometry & MOs

Info

ID:	355817
PubChem CID:	127290669
Reduced:	SO3N4C14H24 (1)
Stoich.:	AB3C4D14E24 (1)
Weight, g/mol:	340.193297
ΔH_f, kcal/mol:	-92.5
Dipole, Da:	5.27
IP(EA), eV:	-8.81(0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(cyclohexylmethylsulfonyl)-4-[(1-methylpyrazol-4-yl)methyl]piperazine

Drug info:

PubChemData

Smile

CN1C=C(C=N1)CN2CCN(CC2)S(=O)(=O)CC3CCCO3

DOS

IR

Vibrations