Geometry & MOs

Info

ID:	47756
PubChem CID:	10535149
Reduced:	O2C4H5 (2)
Stoich.:	A2B4C5 (2)
Weight, g/mol:	170.094294
ΔH_f, kcal/mol:	-145.86
Dipole, Da:	2.62
IP(EA), eV:	-10.78(0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1S,6S)-6-methyl-7-oxabicyclo[4.1.0]heptan-2-yl] acetate

Drug info:

PubChemData

Smile

C1[C@H]2[C@H](CC(=O)O2)[C@]3([C@@H]1O3)CO

DOS

IR

Vibrations