Geometry & MOs

Info

ID:	385696
PubChem CID:	134979762
Reduced:	SiO2C18H28 (2)
Stoich.:	AB2C18D28 (2)
Weight, g/mol:	230.034586
ΔH_f, kcal/mol:	-276.41
Dipole, Da:	4.05
IP(EA), eV:	-8.7(0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (1R,4R,5R)-8-chloro-5-methyl-3-oxo-2-oxabicyclo[2.2.2]oct-7-ene-5-carboxylate

Drug info:

PubChemData

Smile

C[C@@H]1C[C@@H]([C@](C=C1CO[Si](C2=CC=CC=C2)(C3=CC=CC=C3)C(C)(C)C)(C)CCCO[Si](C)(C)C(C)(C)C)C(=O)OC

DOS

IR

Vibrations