Geometry & MOs

Info

ID:	413316
PubChem CID:	135086264
Reduced:	PCl2F2O3H15C16 (1)
Stoich.:	AB2C2D3E15F16 (1)
Weight, g/mol:	264.099774
ΔH_f, kcal/mol:	-257.93
Dipole, Da:	5.1
IP(EA), eV:	-9.52(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(1,3-benzodioxol-5-yl)-2-oxoethyl] 2,2-dimethylpropanoate

Drug info:

PubChemData

Smile

CC(C)(C)P(=O)(OC1=CC(=C(C=C1)F)Cl)OC2=CC(=C(C=C2)F)Cl

DOS

IR

Vibrations