Geometry & MOs

Info

ID:	8436
PubChem CID:	77672
Reduced:	ClO3H5C12 (1)
Stoich.:	AB3C5D12 (1)
Weight, g/mol:	231.992722
ΔH_f, kcal/mol:	-78.24
Dipole, Da:	7.05
IP(EA), eV:	-10.08(-2.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-chloro-3-oxatricyclo[7.3.1.05,13]trideca-1(12),5(13),6,8,10-pentaene-2,4-dione

Drug info:

PubChemData

Smile

C1=CC2=C(C=CC3=C2C(=C1)C(=O)OC3=O)Cl

DOS

IR

Vibrations