Geometry & MOs

Info

ID:	279769
PubChem CID:	103845110
Reduced:	ClFNSC13H17 (1)
Stoich.:	ABCDE13F17 (1)
Weight, g/mol:	273.075427
ΔH_f, kcal/mol:	-44.53
Dipole, Da:	1.53
IP(EA), eV:	-8.66(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(5-chloro-2-fluorophenyl)methyl]-3-methylsulfanylcyclopentan-1-amine

Drug info:

PubChemData

Smile

CSC1CCCC1NCC2=C(C=CC(=C2)Cl)F

DOS

IR

Vibrations