Geometry & MOs

Info

ID:	390569
PubChem CID:	134999754
Reduced:	FO4H9C11 (1)
Stoich.:	AB4C9D11 (1)
Weight, g/mol:	340.107752
ΔH_f, kcal/mol:	-135.78
Dipole, Da:	1.09
IP(EA), eV:	-10.02(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

diethyl 2-[4-(4-chlorophenyl)-4-oxobutan-2-yl]propanedioate

Drug info:

PubChemData

Smile

COC(=O)C(=O)[C@@H]1[C@H](O1)C2=CC=C(C=C2)F

DOS

IR

Vibrations