Geometry & MOs

Info

ID:	410305
PubChem CID:	135083096
Reduced:	O9C16H16 (1)
Stoich.:	A9B16C16 (1)
Weight, g/mol:	300.064315
ΔH_f, kcal/mol:	-289.99
Dipole, Da:	4.28
IP(EA), eV:	-10.73(-1.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1S,4S)-3,3-dimethyl-5-oxo-1-bicyclo[2.2.2]octanyl] trifluoromethanesulfonate

Drug info:

PubChemData

Smile

COC(=O)C1=C(C2[C@@H]3[C@H](C1C(=C2C(=O)OC)C(=O)OC)O3)C(=O)OC

DOS

IR

Vibrations