Geometry & MOs

Info

ID:	432556
PubChem CID:	135172689
Reduced:	O3N4C9H10 (1)
Stoich.:	A3B4C9D10 (1)
Weight, g/mol:	221.116427
ΔH_f, kcal/mol:	-50.72
Dipole, Da:	5.97
IP(EA), eV:	-9.74(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-piperidin-4-yloxypyrimidin-5-yl)ethanone

Drug info:

PubChemData

Smile

CCOC(=O)COC1=NC=NC2=C1NC=N2

DOS

IR

Vibrations