Geometry & MOs

Info

ID:	339512
PubChem CID:	127261445
Reduced:	ON4H14C15 (1)
Stoich.:	AB4C14D15 (1)
Weight, g/mol:	214.011353
ΔH_f, kcal/mol:	53.7
Dipole, Da:	3.88
IP(EA), eV:	-8.58(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(3aS,6aS)-2,4,6-trioxo-3,6a-dihydrofuro[2,3-c]furan-3a-yl] acetate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C/C=C/C2=COC3=NC(=NC(=C23)N)N

DOS

IR

Vibrations