Geometry & MOs

Info

ID:	358870
PubChem CID:	127296741
Reduced:	SO3N4C16H30 (1)
Stoich.:	AB3C4D16E30 (1)
Weight, g/mol:	349.259009
ΔH_f, kcal/mol:	-146.04
Dipole, Da:	6.43
IP(EA), eV:	-8.75(0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(1-methylpiperidin-2-yl)methyl]-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]piperazine-1-carboxamide

Drug info:

PubChemData

Smile

CN1CCCCC1CN2CCN(CC2)C(=O)NC3CCS(=O)(=O)C3

DOS

IR

Vibrations