Geometry & MOs

Info

ID:	233183
PubChem CID:	87692905
Reduced:	IOF3N4H12C14 (1)
Stoich.:	ABC3D4E12F14 (1)
Weight, g/mol:	272.125988
ΔH_f, kcal/mol:	-110.36
Dipole, Da:	5.1
IP(EA), eV:	-9.3(-1.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-oxopentanoyloxy)propyl 4-oxopentanoate

Drug info:

PubChemData

Smile

CN1CCC2=C(C1=O)C=C(N2CC(F)(F)F)C3=NC(=NC=C3)I

DOS

IR

Vibrations