Geometry & MOs

Info

ID:	906
PubChem CID:	3512
Reduced:	ClO6C17H17 (1)
Stoich.:	AB6C17D17 (1)
Weight, g/mol:	352.071366
ΔH_f, kcal/mol:	-204.33
Dipole, Da:	9.18
IP(EA), eV:	-9.13(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-chloro-3',4,6-trimethoxy-5'-methylspiro[1-benzofuran-2,4'-cyclohex-2-ene]-1',3-dione

Drug info:

PubChemData

Smile

CC1CC(=O)C=C(C12C(=O)C3=C(O2)C(=C(C=C3OC)OC)Cl)OC

DOS

IR

Vibrations