Geometry & MOs

Info

ID:	201763
PubChem CID:	79578066
Reduced:	NOC15H23 (1)
Stoich.:	ABC15D23 (1)
Weight, g/mol:	280.113316
ΔH_f, kcal/mol:	-43.09
Dipole, Da:	2.5
IP(EA), eV:	-8.78(0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-(2,4-dimethylphenyl)sulfonylethyl]cyclopentan-1-one

Drug info:

PubChemData

Smile

CN(CCC1CCCC1O)CC2=CC=CC=C2

DOS

IR

Vibrations