Geometry & MOs

Info

ID:	1278
PubChem CID:	4085
Reduced:	NO8C12H15 (1)
Stoich.:	AB8C12D15 (1)
Weight, g/mol:	301.079766
ΔH_f, kcal/mol:	-245.13
Dipole, Da:	4.74
IP(EA), eV:	-9.82(-1.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(hydroxymethyl)-6-(3-nitrophenoxy)oxane-3,4,5-triol

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)OC2C(C(C(C(O2)CO)O)O)O)[N+](=O)[O-]

DOS

IR

Vibrations