Geometry & MOs

Info

ID:	220318
PubChem CID:	85177291
Reduced:	OC17H24 (1)
Stoich.:	AB17C24 (1)
Weight, g/mol:	244.149471
ΔH_f, kcal/mol:	-21.06
Dipole, Da:	1.44
IP(EA), eV:	-8.79(0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[tert-butyl(dimethyl)silyl]oxy-7-oxabicyclo[4.1.0]heptan-3-ol

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1)CCCC=CCCCC=C

DOS

IR

Vibrations