Geometry & MOs

Info

ID:	202334
PubChem CID:	79659378
Reduced:	O3N4C11H18 (1)
Stoich.:	A3B4C11D18 (1)
Weight, g/mol:	250.179361
ΔH_f, kcal/mol:	-58.86
Dipole, Da:	2.54
IP(EA), eV:	-8.44(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1,4-dimethylpiperazin-2-yl)-5-ethyl-6-methyl-1H-pyrimidin-4-one

Drug info:

PubChemData

Smile

CN1CCN(C(C1)C2=NOC(=N2)CC(=O)OC)C

DOS

IR

Vibrations