Geometry & MOs

Info

ID:	389219
PubChem CID:	134991636
Reduced:	O5C11H16 (1)
Stoich.:	A5B11C16 (1)
Weight, g/mol:	236.141244
ΔH_f, kcal/mol:	-206.23
Dipole, Da:	1.38
IP(EA), eV:	-10.1(0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (4aR,5R,8aS)-5,7-dimethyl-4-oxo-1,2,3,5,8,8a-hexahydronaphthalene-4a-carboxylate

Drug info:

PubChemData

Smile

CO[C@H]1C=CC[C@@H]([C@H]1C(=O)OC)C(=O)OC

DOS

IR

Vibrations