Geometry & MOs

Info

ID:	337197
PubChem CID:	127256762
Reduced:	NO3C15H31 (1)
Stoich.:	AB3C15D31 (1)
Weight, g/mol:	259.214744
ΔH_f, kcal/mol:	-187.21
Dipole, Da:	4.16
IP(EA), eV:	-9.23(1.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R,4R)-1-[(2R)-2-(hydroxymethyl)octyl]piperidine-3,4-diol

Drug info:

PubChemData

Smile

CCCCCCC[C@H](CN1CC[C@H]([C@@H](C1)O)O)CO

DOS

IR

Vibrations