Geometry & MOs

Info

ID:	201653
PubChem CID:	79565840
Reduced:	SO2N3C13H23 (1)
Stoich.:	AB2C3D13E23 (1)
Weight, g/mol:	279.192232
ΔH_f, kcal/mol:	-71.97
Dipole, Da:	4.67
IP(EA), eV:	-9.51(0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]cyclopentan-1-amine

Drug info:

PubChemData

Smile

CNC1(CCCC1CCN2CCS(=O)(=O)CC2)C#N

DOS

IR

Vibrations