Geometry & MOs

Info

ID:	209130
PubChem CID:	80627883
Reduced:	NSCl2C12H15 (1)
Stoich.:	ABC2D12E15 (1)
Weight, g/mol:	252.139326
ΔH_f, kcal/mol:	-9.64
Dipole, Da:	3.49
IP(EA), eV:	-8.65(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(chloromethyl)-2-(2-ethylpiperidin-1-yl)-3-methylpyridine

Drug info:

PubChemData

Smile

C1CCSC(C1)C(C2=CC(=C(C=C2)Cl)Cl)N

DOS

IR

Vibrations