Geometry & MOs

Info

ID:	208228
PubChem CID:	80505948
Reduced:	SO2N4C8H16 (1)
Stoich.:	AB2C4D8E16 (1)
Weight, g/mol:	231.194677
ΔH_f, kcal/mol:	-46.93
Dipole, Da:	5.92
IP(EA), eV:	-8.97(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(aminomethyl)-4-methylpiperazin-1-yl]-3-ethoxypropan-2-ol

Drug info:

PubChemData

Smile

CN1CCN(C(C1)CN)S(=O)(=O)CC#N

DOS

IR

Vibrations