Geometry & MOs

Info

ID:	356841
PubChem CID:	127292381
Reduced:	SN3O4C16H31 (1)
Stoich.:	AB3C4D16E31 (1)
Weight, g/mol:	318.136176
ΔH_f, kcal/mol:	-206.88
Dipole, Da:	6.93
IP(EA), eV:	-9.3(0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-N-(1-methylsulfonylpiperidin-3-yl)-3-oxopiperazine-1-carboxamide

Drug info:

PubChemData

Smile

CCCN(CC1CCCCO1)C(=O)NC2CCCN(C2)S(=O)(=O)C

DOS

IR

Vibrations