Geometry & MOs

Info

ID:	312167
PubChem CID:	126603436
Reduced:	NO3C12H23 (1)
Stoich.:	AB3C12D23 (1)
Weight, g/mol:	229.167794
ΔH_f, kcal/mol:	-162.2
Dipole, Da:	4.79
IP(EA), eV:	-9.01(0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(2S,3S)-4-butan-2-yl-2-methylmorpholin-3-yl]propanoic acid

Drug info:

PubChemData

Smile

CCCC(C)N1CCO[C@@H](C1)CCC(=O)O

DOS

IR

Vibrations