Geometry & MOs

Info

ID:	370703
PubChem CID:	127339933
Reduced:	ON5C17H19 (1)
Stoich.:	AB5C17D19 (1)
Weight, g/mol:	301.153875
ΔH_f, kcal/mol:	42.56
Dipole, Da:	4.42
IP(EA), eV:	-9.31(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[4-(2-methylpyrazol-3-yl)piperidin-1-yl]-2-oxoethyl]pyrimidin-2-one

Drug info:

PubChemData

Smile

CN1C(=CC=N1)C2CCN(CC2)C(=O)C3=CNC4=C3C=CC=N4

DOS

IR

Vibrations