Geometry & MOs

Info

ID:	2961
PubChem CID:	8937
Reduced:	NaN2O3C10H15 (1)
Stoich.:	AB2C3D10E15 (1)
Weight, g/mol:	234.098037
ΔH_f, kcal/mol:	-195.34
Dipole, Da:	8.15
IP(EA), eV:	-9.55(0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

sodium;5-butan-2-yl-5-ethyl-4,6-dioxo-1H-pyrimidin-2-olate

Drug info:

PubChemData

Smile

CCC(C)C1(C(=O)NC(=NC1=O)[O-])CC.[Na+]

DOS

IR

Vibrations