Geometry & MOs

Info

ID:	3248
PubChem CID:	9391
Reduced:	NaN2O3C14H17 (1)
Stoich.:	AB2C3D14E17 (1)
Weight, g/mol:	284.113687
ΔH_f, kcal/mol:	-119.48
Dipole, Da:	8.07
IP(EA), eV:	-9.31(0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

sodium;5-hex-3-yn-2-yl-1-methyl-4,6-dioxo-5-prop-2-enylpyrimidin-2-olate

Drug info:

PubChemData

Smile

CCC#CC(C)C1(C(=O)N=C(N(C1=O)C)[O-])CC=C.[Na+]

DOS

IR

Vibrations