Geometry & MOs

Info

ID:	50717
PubChem CID:	12013299
Reduced:	O3C16H16 (1)
Stoich.:	A3B16C16 (1)
Weight, g/mol:	256.109944
ΔH_f, kcal/mol:	-102.8
Dipole, Da:	8.14
IP(EA), eV:	-9.93(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7'-methylspiro[2-benzofuran-3,8'-bicyclo[3.2.1]octane]-1,2'-dione

Drug info:

PubChemData

Smile

C[C@@H]1CC2C[C@]3(C(C1)C2=O)C4=CC=CC=C4C(=O)O3

DOS

IR

Vibrations