Geometry & MOs

Info

ID:	282418
PubChem CID:	103926241
Reduced:	BrN2O2F3C13H14 (1)
Stoich.:	AB2C2D3E13F14 (1)
Weight, g/mol:	283.140614
ΔH_f, kcal/mol:	-229.83
Dipole, Da:	3.74
IP(EA), eV:	-10.03(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(2-fluoro-6-methoxyphenyl)ethyl]-3-methylsulfanylcyclopentan-1-amine

Drug info:

PubChemData

Smile

CC(C)N(CC(=O)N)C(=O)C1=C(C=C(C=C1)Br)C(F)(F)F

DOS

IR

Vibrations