Geometry & MOs

Info

ID:	47847
PubChem CID:	10535604
Reduced:	ON4H8C9 (1)
Stoich.:	AB4C8D9 (1)
Weight, g/mol:	188.084872
ΔH_f, kcal/mol:	106.24
Dipole, Da:	4.92
IP(EA), eV:	-9.32(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1S,3R,5S,6S)-5-fluoro-6-methyl-7-oxabicyclo[4.1.0]heptan-3-yl] acetate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C=NC2=NON=C2N

DOS

IR

Vibrations