Geometry & MOs

Info

ID:	20926
PubChem CID:	586313
Reduced:	ClNO5C20H22 (1)
Stoich.:	ABC5D20E22 (1)
Weight, g/mol:	391.118651
ΔH_f, kcal/mol:	-169.88
Dipole, Da:	5.98
IP(EA), eV:	-8.6(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-chloro-4,6-dimethoxy-5'-methyl-3'-pyrrolidin-1-ylspiro[1-benzofuran-2,6'-cyclohex-2-ene]-1',3-dione

Drug info:

PubChemData

Smile

CC1CC(=CC(=O)C12C(=O)C3=C(O2)C(=C(C=C3OC)OC)Cl)N4CCCC4

DOS

IR

Vibrations