Geometry & MOs

Info

ID:	289113
PubChem CID:	104336323
Reduced:	ClON5C14H24 (1)
Stoich.:	ABC5D14E24 (1)
Weight, g/mol:	297.16079
ΔH_f, kcal/mol:	-9.09
Dipole, Da:	4.28
IP(EA), eV:	-8.76(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-2-(ethoxymethyl)-6-(4-ethyl-4-methylpiperidin-1-yl)pyrimidine

Drug info:

PubChemData

Smile

CN(C)CCN1CCN(CC1)C2=CC(=NC(=N2)COC)Cl

DOS

IR

Vibrations