Geometry & MOs

Info

ID:	407254
PubChem CID:	135079670
Reduced:	NO2C14H20 (1)
Stoich.:	AB2C14D20 (1)
Weight, g/mol:	215.05605
ΔH_f, kcal/mol:	-67.69
Dipole, Da:	1.89
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.764154
Charge, e:	0

Chem-info

IUPAC name:

(2R,5S)-3-amino-6-(hydroxymethyl)oxane-2,4,5-triol;hydrochloride

Drug info:

PubChemData

Smile

COC1=CC(=CC(=C1)[NH+]=C2CCCCC2)OC

DOS

IR

Vibrations