Geometry & MOs

Info

ID:	408003
PubChem CID:	135080758
Reduced:	NOF3C4H6 (1)
Stoich.:	ABC3D4E6 (1)
Weight, g/mol:	218.094294
ΔH_f, kcal/mol:	-204.04
Dipole, Da:	3.48
IP(EA), eV:	-10.78(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1S,2R,6S)-11-oxo-2-bicyclo[4.4.1]undeca-3,7,9-trienyl] acetate

Drug info:

PubChemData

Smile

CC(N(C)C(=O)F)(F)F

DOS

IR

Vibrations