Geometry & MOs

Info

ID:	201750
PubChem CID:	79575784
Reduced:	NSCl2C13H17 (1)
Stoich.:	ABC2D13E17 (1)
Weight, g/mol:	263.170771
ΔH_f, kcal/mol:	-9.48
Dipole, Da:	2.84
IP(EA), eV:	-8.86(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-(2,4-dimethylphenyl)sulfanylethyl]-N-methylcyclopentan-1-amine

Drug info:

PubChemData

Smile

C1CC(C(C1)N)CCSC2=C(C=CC(=C2)Cl)Cl

DOS

IR

Vibrations