Geometry & MOs

Info

ID:	294138
PubChem CID:	117427560
Reduced:	ClOSN3C11H12 (1)
Stoich.:	ABCD3E11F12 (1)
Weight, g/mol:	269.118257
ΔH_f, kcal/mol:	20.27
Dipole, Da:	4.39
IP(EA), eV:	-8.66(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-chloro-3,4-dimethoxy-6-methylphenyl)cyclopentan-1-amine

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1Cl)C2=CC(=NN2)N)SC

DOS

IR

Vibrations