Geometry & MOs

Info

ID:	283324
PubChem CID:	103974490
Reduced:	FO2C7H8 (2)
Stoich.:	AB2C7D8 (2)
Weight, g/mol:	310.097187
ΔH_f, kcal/mol:	-258.13
Dipole, Da:	5.59
IP(EA), eV:	-10.09(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-chlorophenyl)-2-ethoxycarbonyl-4-methylidenehexanoic acid

Drug info:

PubChemData

Smile

CCC(CC1=C(C(=CC=C1)F)F)(C(=O)O)C(=O)OCC

DOS

IR

Vibrations