Geometry & MOs

Info

ID:	412989
PubChem CID:	135085933
Reduced:	BF3O3H8C9 (1)
Stoich.:	AB3C3D8E9 (1)
Weight, g/mol:	248.117746
ΔH_f, kcal/mol:	-317.72
Dipole, Da:	0.23
IP(EA), eV:	-9.63(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2-diethoxyphosphorylethyl)cyclopentan-1-one

Drug info:

PubChemData

Smile

B(/C=C/C1=CC=C(C=C1)OC(F)(F)F)(O)O

DOS

IR

Vibrations