Geometry & MOs

Info

ID:	249340
PubChem CID:	103088747
Reduced:	FSCl2O2N5H8C9 (1)
Stoich.:	ABC2D2E5F8G9 (1)
Weight, g/mol:	260.192235
ΔH_f, kcal/mol:	-35.94
Dipole, Da:	2.59
IP(EA), eV:	-10.28(-1.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-ethoxypiperidin-1-yl)-5-methylsulfanylpentan-1-amine

Drug info:

PubChemData

Smile

CC(C1=NNN=N1)NS(=O)(=O)C2=C(C(=C(C=C2)Cl)F)Cl

DOS

IR

Vibrations