Geometry & MOs

Info

ID:	306411
PubChem CID:	125011621
Reduced:	FON2C16H19 (1)
Stoich.:	ABC2D16E19 (1)
Weight, g/mol:	313.153875
ΔH_f, kcal/mol:	-45.18
Dipole, Da:	4.08
IP(EA), eV:	-8.63(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[(3S)-3-(6-methylpyrazin-2-yl)piperidin-1-yl]-2-oxoethyl]pyrimidin-2-one

Drug info:

PubChemData

Smile

CN1CCC[C@H](C1)C2=NC=C(O2)CC3=CC=CC=C3F

DOS

IR

Vibrations