Geometry & MOs

Info

ID:	435971
PubChem CID:	135193109
Reduced:	OC5H8 (2)
Stoich.:	AB5C8 (2)
Weight, g/mol:	168.078644
ΔH_f, kcal/mol:	-101.04
Dipole, Da:	0.45
IP(EA), eV:	-9.66(2.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,5R,7S,8R,9S)-8,9-dimethyl-2,6-dioxatricyclo[3.3.1.03,7]nonan-4-one

Drug info:

PubChemData

Smile

C[C@H]1[C@@H]2C([C@H]3[C@@H](C([C@@H]1O3)O2)C)C

DOS

IR

Vibrations