Geometry & MOs

Info

ID:	289196
PubChem CID:	104339536
Reduced:	O2N5C12H21 (1)
Stoich.:	A2B5C12D21 (1)
Weight, g/mol:	280.189926
ΔH_f, kcal/mol:	-48.52
Dipole, Da:	2.64
IP(EA), eV:	-8.83(-0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(ethoxymethyl)-6-(ethylamino)pyrimidin-4-yl]piperidin-3-ol

Drug info:

PubChemData

Smile

COCC1=NC(=CC(=N1)N2CCN(CC2)CCO)N

DOS

IR

Vibrations