Geometry & MOs

Info

ID:	1496
PubChem CID:	4597
Reduced:	NO7C12H15 (1)
Stoich.:	AB7C12D15 (1)
Weight, g/mol:	285.084852
ΔH_f, kcal/mol:	-203.4
Dipole, Da:	5.97
IP(EA), eV:	-9.99(-1.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1C(C(C(C(O1)OC2=CC=CC=C2[N+](=O)[O-])O)O)O

DOS

IR

Vibrations