Geometry & MOs

Info

ID:	355991
PubChem CID:	127290981
Reduced:	NOC5H9 (3)
Stoich.:	ABC5D9 (3)
Weight, g/mol:	398.21001
ΔH_f, kcal/mol:	-161.65
Dipole, Da:	4.34
IP(EA), eV:	-9.14(1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CCCN(CC1)C(=O)CCNC(=O)NC2CCCOC2

DOS

IR

Vibrations