Geometry & MOs

Info

ID:	292661
PubChem CID:	117356539
Reduced:	ClNO2C12H16 (1)
Stoich.:	ABC2D12E16 (1)
Weight, g/mol:	241.103355
ΔH_f, kcal/mol:	-70.88
Dipole, Da:	1.48
IP(EA), eV:	-8.64(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(5-chloro-2-fluoro-3,6-dimethylphenyl)cyclopentan-1-amine

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=C1C2(CCC2)N)Cl)O)OC

DOS

IR

Vibrations