Geometry & MOs

Info

ID:	240849
PubChem CID:	93617786
Reduced:	O3N4C8H12 (1)
Stoich.:	A3B4C8D12 (1)
Weight, g/mol:	230.126657
ΔH_f, kcal/mol:	-104.25
Dipole, Da:	8.0
IP(EA), eV:	-9.38(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-3-hydroxy-2-[[(3S)-3-methylpiperidine-1-carbonyl]amino]propanoic acid

Drug info:

PubChemData

Smile

CNC(=O)N[C@H](CC1=CN=CN1)C(=O)O

DOS

IR

Vibrations