Geometry & MOs

Info

ID:	138618
PubChem CID:	52395053
Reduced:	ON3C17H24 (1)
Stoich.:	AB3C17D24 (1)
Weight, g/mol:	340.189926
ΔH_f, kcal/mol:	35.76
Dipole, Da:	3.68
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.887410
Charge, e:	0

Chem-info

IUPAC name:

4,6-dimethyl-1-[3-oxo-3-[(2R)-2-pyridin-3-ylpiperidin-1-yl]propyl]pyrimidin-2-one

Drug info:

PubChemData

Smile

CCOC1=CC=CC(=C1)C[NH+](CC2=C(NC=N2)C)C3CC3

DOS

IR

Vibrations