Geometry & MOs

Info

ID:	382678
PubChem CID:	134973985
Reduced:	OC9H11 (2)
Stoich.:	AB9C11 (2)
Weight, g/mol:	474.219495
ΔH_f, kcal/mol:	-43.61
Dipole, Da:	4.14
IP(EA), eV:	-9.1(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,1'R,8R,8'R,11S)-7,7-diphenylspiro[12-oxatricyclo[6.3.1.02,6]dodec-2(6)-ene-11,7'-12-oxatricyclo[6.3.1.02,6]dodeca-2(6),3,9-triene]-11'-one

Drug info:

PubChemData

Smile

C1CCCC2(CCC1)[C@H]3C=CC(=O)[C@H](O3)C4=C2C=CC4

DOS

IR

Vibrations