Geometry & MOs

Info

ID:	289093
PubChem CID:	104335459
Reduced:	ClON3C11H16 (1)
Stoich.:	ABC3D11E16 (1)
Weight, g/mol:	255.11384
ΔH_f, kcal/mol:	-18.48
Dipole, Da:	4.58
IP(EA), eV:	-8.97(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-2-(methoxymethyl)-6-(3-methylpiperidin-1-yl)pyrimidine

Drug info:

PubChemData

Smile

CCOCC1=NC(=CC(=N1)Cl)N2CCCC2

DOS

IR

Vibrations