Geometry & MOs

Info

ID:	383246
PubChem CID:	134974869
Reduced:	O4C15H24 (1)
Stoich.:	A4B15C24 (1)
Weight, g/mol:	266.151809
ΔH_f, kcal/mol:	-208.25
Dipole, Da:	3.85
IP(EA), eV:	-9.97(0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (1S,5S,7S)-7-butoxy-3-oxotricyclo[3.3.0.02,8]octane-4-carboxylate

Drug info:

PubChemData

Smile

CCCCO[C@@H]1C[C@H]2CC(=O)C([C@H]2C1)C(=O)OCC

DOS

IR

Vibrations