Geometry & MOs

Info

ID:	179803
PubChem CID:	76534224
Reduced:	ClN3O4C11H14 (1)
Stoich.:	AB3C4D11E14 (1)
Weight, g/mol:	295.033578
ΔH_f, kcal/mol:	-132.11
Dipole, Da:	5.51
IP(EA), eV:	-9.75(-1.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

sodium;2-(5-chloro-4-morpholin-4-yl-6-oxo-5H-pyrimidin-2-yl)acetate

Drug info:

PubChemData

Smile

COC(=O)CC1=NC(=O)C(C(=N1)N2CCOCC2)Cl

DOS

IR

Vibrations