Geometry & MOs

Info

ID:	174270
PubChem CID:	75746489
Reduced:	SO3N4C23H38 (1)
Stoich.:	AB3C4D23E38 (1)
Weight, g/mol:	415.307302
ΔH_f, kcal/mol:	-131.86
Dipole, Da:	4.65
IP(EA), eV:	-8.83(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

3-[4-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]piperazin-1-ium-1-yl]-N-(1-phenylethyl)propanamide

Drug info:

PubChemData

Smile

CCCN1C(=O)C2CCCCC2N3C1=NN=C3SCC(COC4CCC(CC4C)C)O

DOS

IR

Vibrations