Geometry & MOs

Info

ID:	201779
PubChem CID:	79581478
Reduced:	BrNOSC16H24 (1)
Stoich.:	ABCDE16F24 (1)
Weight, g/mol:	259.1606
ΔH_f, kcal/mol:	-44.09
Dipole, Da:	2.02
IP(EA), eV:	-8.83(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-cyclopentylsulfonylethyl)-N-methylcyclopentan-1-amine

Drug info:

PubChemData

Smile

CCNC1(CCCC1CCSC2=CC(=CC=C2)Br)CO

DOS

IR

Vibrations