Geometry & MOs

Info

ID:	355815
PubChem CID:	127290667
Reduced:	NS2O4C17H25 (1)
Stoich.:	AB2C4D17E25 (1)
Weight, g/mol:	342.172562
ΔH_f, kcal/mol:	-166.26
Dipole, Da:	7.31
IP(EA), eV:	-9.58(-0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(1-methylpyrazol-4-yl)methyl]-4-(oxan-2-ylmethylsulfonyl)piperazine

Drug info:

PubChemData

Smile

C1CC(CN(C1)S(=O)(=O)C2CCS(=O)(=O)CC2)CC3=CC=CC=C3

DOS

IR

Vibrations