Geometry & MOs

Info

ID:	210109
PubChem CID:	80764030
Reduced:	ON2C6H9 (2)
Stoich.:	AB2C6D9 (2)
Weight, g/mol:	249.15896
ΔH_f, kcal/mol:	3.48
Dipole, Da:	7.68
IP(EA), eV:	-8.82(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[5-ethyl-6-(ethylamino)pyrimidin-4-yl]piperazin-2-one

Drug info:

PubChemData

Smile

CCNC1=NC(=C(C=C1)[N+](=O)[O-])N2CCCCC2

DOS

IR

Vibrations