Geometry & MOs

Info

ID:	262036
PubChem CID:	103266943
Reduced:	SO2N3C15H21 (1)
Stoich.:	AB2C3D15E21 (1)
Weight, g/mol:	244.178693
ΔH_f, kcal/mol:	-46.84
Dipole, Da:	5.75
IP(EA), eV:	-9.18(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methoxy-2-[2-(1-methylpiperidin-4-yl)ethylamino]propanoic acid

Drug info:

PubChemData

Smile

CC1=CC(=NN1CCCNCC2=C(SC(=C2)C(=O)O)C)C

DOS

IR

Vibrations