Geometry & MOs

Info

ID:	294081
PubChem CID:	117426773
Reduced:	NSO3C13H19 (1)
Stoich.:	ABC3D13E19 (1)
Weight, g/mol:	269.108565
ΔH_f, kcal/mol:	-101.44
Dipole, Da:	6.31
IP(EA), eV:	-9.21(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-methoxy-5-methylsulfonylphenyl)cyclopentan-1-amine

Drug info:

PubChemData

Smile

COC1=C(C(=CC=C1)S(=O)(=O)C)C2(CCCC2)N

DOS

IR

Vibrations