Geometry & MOs

Info

ID:	283308
PubChem CID:	103973089
Reduced:	O4C17H28 (1)
Stoich.:	A4B17C28 (1)
Weight, g/mol:	360.03725
ΔH_f, kcal/mol:	-211.77
Dipole, Da:	2.84
IP(EA), eV:	-10.55(0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

diethyl 2-(4-bromophenyl)-2-(2-fluoroethyl)propanedioate

Drug info:

PubChemData

Smile

COC(=O)C(CC1CCCCC1)(C2CCCC2)C(=O)OC

DOS

IR

Vibrations