Geometry & MOs

Info

ID:	355564
PubChem CID:	127289322
Reduced:	SO2N4C17H28 (1)
Stoich.:	AB2C4D17E28 (1)
Weight, g/mol:	342.169191
ΔH_f, kcal/mol:	-71.4
Dipole, Da:	4.7
IP(EA), eV:	-8.96(0.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1,3-benzodioxol-5-yl)-1-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]ethanone

Drug info:

PubChemData

Smile

CN1C=CN=C1CN2CCN(CC2)C(=O)CSCC3CCCCO3

DOS

IR

Vibrations