Geometry & MOs

Info

ID:	159790
PubChem CID:	57288753
Reduced:	IH2O2C4 (2)
Stoich.:	AB2C2D4 (2)
Weight, g/mol:	292.080769
ΔH_f, kcal/mol:	-2.86
Dipole, Da:	2.54
IP(EA), eV:	-10.15(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-(7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)acetyl]oxyethyl prop-2-enoate

Drug info:

PubChemData

Smile

C(C#CI)OC(=O)C(=O)OCC#CI

DOS

IR

Vibrations