Geometry & MOs

Info

ID:	407924
PubChem CID:	135080679
Reduced:	NO5C7H13 (1)
Stoich.:	AB5C7D13 (1)
Weight, g/mol:	223.069202
ΔH_f, kcal/mol:	-166.54
Dipole, Da:	3.5
IP(EA), eV:	-10.67(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,2S,3R,4R,6R)-1-(hydroxymethyl)-6-nitrocyclohexane-1,2,3,4-tetrol

Drug info:

PubChemData

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C[C@@]1([C@@H](CC[C@H]([C@@H]1O)O)[N+](=O)[O-])O

DOS

IR

Vibrations