Geometry & MOs

Info

ID:	394572
PubChem CID:	135023246
Reduced:	O3C16H20 (1)
Stoich.:	A3B16C20 (1)
Weight, g/mol:	238.156895
ΔH_f, kcal/mol:	-91.15
Dipole, Da:	2.93
IP(EA), eV:	-9.46(0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1S,3S,5S)-1-methyl-5-prop-2-enyl-9-oxabicyclo[3.3.1]nonan-3-yl] acetate

Drug info:

PubChemData

Smile

C=CCC1C(=O)CC(O1)CCOCC2=CC=CC=C2

DOS

IR

Vibrations