Geometry & MOs

Info

ID:	404381
PubChem CID:	135066053
Reduced:	ClO2C12H17 (1)
Stoich.:	AB2C12D17 (1)
Weight, g/mol:	278.070972
ΔH_f, kcal/mol:	-109.7
Dipole, Da:	3.45
IP(EA), eV:	-10.33(0.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(10-chloro-11-oxatricyclo[6.2.1.02,7]undeca-2,4,6-trien-9-yl)pentane-2,4-dione

Drug info:

PubChemData

Smile

CC(=O)C(C1C2CCC(C2)C1Cl)C(=O)C

DOS

IR

Vibrations