Geometry & MOs

Info

ID:	394825
PubChem CID:	135023870
Reduced:	NO3C12H13 (1)
Stoich.:	AB3C12D13 (1)
Weight, g/mol:	242.13789
ΔH_f, kcal/mol:	-92.61
Dipole, Da:	3.92
IP(EA), eV:	-9.38(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R,5R)-2-[2-(4-methyltriazol-1-yl)ethyl]piperidine-3,4,5-triol

Drug info:

PubChemData

Smile

CC(=O)OC1=CC=CC=C1/C=C/C(=O)NC

DOS

IR

Vibrations