Geometry & MOs

Info

ID:	259771
PubChem CID:	103174016
Reduced:	ClN2O2C12H19 (1)
Stoich.:	AB2C2D12E19 (1)
Weight, g/mol:	284.129156
ΔH_f, kcal/mol:	-71.07
Dipole, Da:	3.46
IP(EA), eV:	-9.23(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(3-chloro-4-methylpiperidin-1-yl)methyl]-3,4-dimethoxypyridine

Drug info:

PubChemData

Smile

CC(CCCl)NCC1=NC=CC(=C1OC)OC

DOS

IR

Vibrations