Geometry & MOs

Info

ID:	408067
PubChem CID:	135080822
Reduced:	FON2C12H15 (1)
Stoich.:	ABC2D12E15 (1)
Weight, g/mol:	191.079373
ΔH_f, kcal/mol:	-50.41
Dipole, Da:	3.42
IP(EA), eV:	-9.6(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1C(N1CC2=CC=C(C=C2)F)CCC(=O)N

DOS

IR

Vibrations