Geometry & MOs

Info

ID:	303826
PubChem CID:	124490223
Reduced:	NO9C11H19 (1)
Stoich.:	AB9C11D19 (1)
Weight, g/mol:	219.147058
ΔH_f, kcal/mol:	-415.19
Dipole, Da:	4.06
IP(EA), eV:	-10.39(0.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R,3S,4S,5S)-1-butyl-2-(hydroxymethyl)piperidine-3,4,5-triol

Drug info:

PubChemData

Smile

CC(=O)N[C@@H]1[C@@H](C[C@@](O[C@@H]1[C@H]([C@@H](CO)O)O)(C(=O)O)O)O

DOS

IR

Vibrations