Geometry & MOs

Info

ID:	396397
PubChem CID:	135028253
Reduced:	O5C19H24 (1)
Stoich.:	A5B19C24 (1)
Weight, g/mol:	210.125594
ΔH_f, kcal/mol:	-204.61
Dipole, Da:	1.73
IP(EA), eV:	-9.47(0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,5S,6R)-6-methoxy-4,4-dimethylbicyclo[3.3.1]nonane-2,9-dione

Drug info:

PubChemData

Smile

COC(=O)C1(C[C@@H](OC12CCCCC2)C3=CC=CC=C3)C(=O)OC

DOS

IR

Vibrations