Geometry & MOs

Info

ID:	224260
PubChem CID:	85340885
Reduced:	ClON2H13C14 (1)
Stoich.:	ABC2D13E14 (1)
Weight, g/mol:	259.96842
ΔH_f, kcal/mol:	5.31
Dipole, Da:	5.78
IP(EA), eV:	-9.68(-1.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(7-bromo-3-oxo-2-oxabicyclo[2.2.2]oct-7-en-5-yl) acetate

Drug info:

PubChemData

Smile

C1CCC2=NC(=NC(=O)C2C1)C3=CC=C(C=C3)Cl

DOS

IR

Vibrations