Geometry & MOs

Info

ID:	408318
PubChem CID:	135081084
Reduced:	NO6C11H19 (1)
Stoich.:	AB6C11D19 (1)
Weight, g/mol:	191.079373
ΔH_f, kcal/mol:	-263.68
Dipole, Da:	6.72
IP(EA), eV:	-9.91(0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,2S,3R,6R)-1-methyl-6-nitrocyclohexane-1,2,3-triol

Drug info:

PubChemData

Smile

CC(=O)NC1[C@@H](OC([C@H](C1O)OCC=C)CO)O

DOS

IR

Vibrations