Geometry & MOs

Info

ID:	18419
PubChem CID:	540688
Reduced:	Cl3O3H13C14 (1)
Stoich.:	A3B3C13D14 (1)
Weight, g/mol:	333.993027
ΔH_f, kcal/mol:	-84.23
Dipole, Da:	2.33
IP(EA), eV:	-10.1(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4,4,9-trichloro-12-oxo-11-tetracyclo[5.3.1.12,6.03,5]dodec-8-enyl) acetate

Drug info:

PubChemData

Smile

CC(=O)OC1C2CC(=CC1C3C4C(C2C3=O)C4(Cl)Cl)Cl

DOS

IR

Vibrations