Geometry & MOs

Info

ID:	287396
PubChem CID:	104240364
Reduced:	BrNSC13H20 (1)
Stoich.:	ABCD13E20 (1)
Weight, g/mol:	313.08414
ΔH_f, kcal/mol:	9.63
Dipole, Da:	3.54
IP(EA), eV:	-9.01(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-bromo-2-fluorophenyl)-1-cyclopentyl-N-methylpropan-1-amine

Drug info:

PubChemData

Smile

CNC(CCC1=CC=C(S1)Br)C2CCCC2

DOS

IR

Vibrations