Geometry & MOs

Info

ID:	413146
PubChem CID:	135086090
Reduced:	Cl2O3H10C12 (1)
Stoich.:	A2B3C10D12 (1)
Weight, g/mol:	238.100523
ΔH_f, kcal/mol:	-104.94
Dipole, Da:	3.06
IP(EA), eV:	-9.65(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(4-fluorophenyl)-2-oxoethyl] 2,2-dimethylpropanoate

Drug info:

PubChemData

Smile

COC(=O)CC(=O)/C(=C/C1=CC(=CC=C1)Cl)/Cl

DOS

IR

Vibrations