Geometry & MOs

Info

ID:	45622
PubChem CID:	10515716
Reduced:	IOC9H13 (1)
Stoich.:	ABC9D13 (1)
Weight, g/mol:	264.099774
ΔH_f, kcal/mol:	-0.86
Dipole, Da:	0.65
IP(EA), eV:	-9.6(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1R,4R,5S,6R)-5-phenylmethoxy-2,7-dioxabicyclo[2.2.1]heptan-6-yl] acetate

Drug info:

PubChemData

Smile

COC[C@@H]1[C@H]2C[C@H]3[C@@H]1[C@H]3[C@@H]2I

DOS

IR

Vibrations