Geometry & MOs

Info

ID:	210006
PubChem CID:	80749982
Reduced:	O2N4C15H18 (1)
Stoich.:	A2B4C15D18 (1)
Weight, g/mol:	246.121572
ΔH_f, kcal/mol:	35.58
Dipole, Da:	5.7
IP(EA), eV:	-8.58(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-3-hydroxy-2-[(2-piperidin-4-yloxyacetyl)amino]propanoic acid

Drug info:

PubChemData

Smile

CCNC1=CC(=CC(=C1)[N+](=O)[O-])NCCC2=CC=CC=N2

DOS

IR

Vibrations