Geometry & MOs

Info

ID:	355993
PubChem CID:	127290983
Reduced:	SN3O4C13H25 (1)
Stoich.:	AB3C4D13E25 (1)
Weight, g/mol:	321.216475
ΔH_f, kcal/mol:	-198.05
Dipole, Da:	2.27
IP(EA), eV:	-9.59(0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(1-methylpyrazol-4-yl)methyl]-N-(oxan-4-ylmethyl)piperazine-1-carboxamide

Drug info:

PubChemData

Smile

CS(=O)(=O)N1CCC(CC1)CNC(=O)NC2CCCOC2

DOS

IR

Vibrations