Geometry & MOs

Info

ID:	281769
PubChem CID:	103914341
Reduced:	NSO3C12H25 (1)
Stoich.:	ABC3D12E25 (1)
Weight, g/mol:	277.171165
ΔH_f, kcal/mol:	-168.72
Dipole, Da:	6.1
IP(EA), eV:	-9.3(0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[(2-methylsulfonylcyclopentyl)amino]methyl]hexan-1-ol

Drug info:

PubChemData

Smile

CCCC(CCO)CNC1CCCS(=O)(=O)C1

DOS

IR

Vibrations