Geometry & MOs

Info

ID:	407923
PubChem CID:	135080678
Reduced:	LiNSH10C13 (1)
Stoich.:	ABCD10E13 (1)
Weight, g/mol:	191.079373
ΔH_f, kcal/mol:	91.63
Dipole, Da:	7.18
IP(EA), eV:	-7.22(0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

[Li+].C1=CC=C(C=C1)CN2C=CC3=C2C=[C-]S3

DOS

IR

Vibrations