Geometry & MOs

Info

ID:	48892
PubChem CID:	11528444
Reduced:	O3C10H10 (1)
Stoich.:	A3B10C10 (1)
Weight, g/mol:	178.09938
ΔH_f, kcal/mol:	-81.44
Dipole, Da:	2.27
IP(EA), eV:	-10.19(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,6R)-6-methyltricyclo[4.4.0.02,9]decane-3,8-dione

Drug info:

PubChemData

Smile

C1[C@H]2CC3([C@@H]1C=C2)C(=O)COC3=O

DOS

IR

Vibrations