Geometry & MOs

Info

ID:	312168
PubChem CID:	126603438
Reduced:	NO3C12H23 (1)
Stoich.:	AB3C12D23 (1)
Weight, g/mol:	257.199094
ΔH_f, kcal/mol:	-161.36
Dipole, Da:	3.32
IP(EA), eV:	-8.65(0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(2S)-4-heptan-4-ylmorpholin-2-yl]propanoic acid

Drug info:

PubChemData

Smile

CCC(C)N1CCO[C@H]([C@@H]1CCC(=O)O)C

DOS

IR

Vibrations