Geometry & MOs

Info

ID:	328440
PubChem CID:	126723079
Reduced:	O7C12H20 (1)
Stoich.:	A7B12C20 (1)
Weight, g/mol:	291.147058
ΔH_f, kcal/mol:	-331.52
Dipole, Da:	3.44
IP(EA), eV:	-10.13(0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(3R,6S,8R,9R)-3-[(2R)-2-cyanopropyl]-2,7-dioxatricyclo[6.3.1.01,6]dodec-10-en-9-yl] acetate

Drug info:

PubChemData

Smile

C1C[C@H]2[C@](C[C@@H](O2)[C@@H](CO)O)(O[C@H]1CC(=O)O)CO

DOS

IR

Vibrations