Geometry & MOs

Info

ID:	404630
PubChem CID:	135068015
Reduced:	SiO2C23H30 (1)
Stoich.:	AB2C23D30 (1)
Weight, g/mol:	310.196421
ΔH_f, kcal/mol:	-102.77
Dipole, Da:	2.97
IP(EA), eV:	-8.62(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,2R,4S,5S)-2-butyl-4-triethylsilyloxy-8-oxabicyclo[3.2.1]oct-6-en-3-one

Drug info:

PubChemData

Smile

C/C=C/[C@@H]1C=C[C@@H](O[Si](O1)(C(C)C)C(C)C)C2=CC3=CC=CC=C3C=C2

DOS

IR

Vibrations