Geometry & MOs

Info

ID:	20352
PubChem CID:	583275
Reduced:	NO6C9H17 (1)
Stoich.:	AB6C9D17 (1)
Weight, g/mol:	235.105587
ΔH_f, kcal/mol:	-274.44
Dipole, Da:	5.38
IP(EA), eV:	-9.56(0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[3,4,5-trihydroxy-2-(hydroxymethyl)piperidin-1-yl]propanoic acid

Drug info:

PubChemData

Smile

C1C(C(C(C(N1CCC(=O)O)CO)O)O)O

DOS

IR

Vibrations