Geometry & MOs

Info

ID:	50716
PubChem CID:	12013298
Reduced:	O3C17H18 (1)
Stoich.:	A3B17C18 (1)
Weight, g/mol:	256.109944
ΔH_f, kcal/mol:	-108.24
Dipole, Da:	7.94
IP(EA), eV:	-9.93(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,3'R)-3'-methylspiro[2-benzofuran-3,6'-bicyclo[3.2.1]octane]-1,8'-dione

Drug info:

PubChemData

Smile

C[C@H]1C[C@H]2CCC(=O)[C@@H](C1)C23C4=CC=CC=C4C(=O)O3

DOS

IR

Vibrations