Geometry & MOs

Info

ID:	294086
PubChem CID:	117426894
Reduced:	NSO3C13H19 (1)
Stoich.:	ABC3D13E19 (1)
Weight, g/mol:	269.108565
ΔH_f, kcal/mol:	-112.21
Dipole, Da:	6.6
IP(EA), eV:	-9.22(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[1-(aminomethyl)cyclopentyl]-2-methylsulfonylphenol

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1)S(=O)(=O)C)CC2CCCN2

DOS

IR

Vibrations