Geometry & MOs

Info

ID:	337189
PubChem CID:	127256754
Reduced:	NO3C15H31 (1)
Stoich.:	AB3C15D31 (1)
Weight, g/mol:	253.131408
ΔH_f, kcal/mol:	-185.75
Dipole, Da:	2.22
IP(EA), eV:	-8.84(1.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCCCCC[C@@H](C)CN1C[C@@H](C([C@H](C1)O)O)O

DOS

IR

Vibrations