Geometry & MOs

Info

ID:	337187
PubChem CID:	127256752
Reduced:	N2O3C14H14 (1)
Stoich.:	A2B3C14D14 (1)
Weight, g/mol:	275.209658
ΔH_f, kcal/mol:	6.84
Dipole, Da:	9.68
IP(EA), eV:	-7.94(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,5R)-1-[(2R)-2-(hydroxymethyl)octyl]piperidine-3,4,5-triol

Drug info:

PubChemData

Smile

C1=CC=[N+](C=C1)COC[N+]2=CC(=C(C=C2)C=O)C=O

DOS

IR

Vibrations