Geometry & MOs

Info

ID:	50715
PubChem CID:	12013297
Reduced:	O3C15H22 (1)
Stoich.:	A3B15C22 (1)
Weight, g/mol:	270.125594
ΔH_f, kcal/mol:	-164.11
Dipole, Da:	7.49
IP(EA), eV:	-9.88(0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1'S,5'R,7'S)-7'-methylspiro[2-benzofuran-3,9'-bicyclo[3.3.1]nonane]-1,2'-dione

Drug info:

PubChemData

Smile

C[C@H]1C[C@H]2CCC(=O)[C@@H](C1)C23CC(C(=O)O3)(C)C

DOS

IR

Vibrations