Geometry & MOs

Info

ID:	337199
PubChem CID:	127256764
Reduced:	NO3C9H19 (1)
Stoich.:	AB3C9D19 (1)
Weight, g/mol:	273.230394
ΔH_f, kcal/mol:	-158.27
Dipole, Da:	3.12
IP(EA), eV:	-9.07(1.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R,4R)-1-[(5R)-5-(hydroxymethyl)nonyl]piperidine-3,4-diol

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations