Geometry & MOs

Info

ID:	261612
PubChem CID:	103242231
Reduced:	NO5C13H19 (1)
Stoich.:	AB5C13D19 (1)
Weight, g/mol:	217.131408
ΔH_f, kcal/mol:	-178.39
Dipole, Da:	3.97
IP(EA), eV:	-9.49(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methoxy-2-(oxan-3-ylmethylamino)propanoic acid

Drug info:

PubChemData

Smile

CC(C1=CC=C(O1)C(=O)OC)NCC2COCCO2

DOS

IR

Vibrations