Geometry & MOs

Info

ID:	395489
PubChem CID:	135025586
Reduced:	NOF4H7C16 (1)
Stoich.:	ABC4D7E16 (1)
Weight, g/mol:	212.068473
ΔH_f, kcal/mol:	-109.61
Dipole, Da:	4.29
IP(EA), eV:	-10.21(-2.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1S,5S)-5-acetyloxy-4-oxocyclohex-2-en-1-yl] acetate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C(=O)/C=C/C2=C(C(=C(C(=C2F)F)C#N)F)F

DOS

IR

Vibrations