Geometry & MOs

Info

ID:	13374
PubChem CID:	228044
Reduced:	NO6C13H17 (1)
Stoich.:	AB6C13D17 (1)
Weight, g/mol:	283.105587
ΔH_f, kcal/mol:	-229.52
Dipole, Da:	6.49
IP(EA), eV:	-9.54(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(hydroxymethyl)-3-[(2-hydroxyphenyl)methylideneamino]oxane-2,4,5-triol

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)C=NC2C(C(C(OC2O)CO)O)O)O

DOS

IR

Vibrations