Geometry & MOs

Info

ID:	292911
PubChem CID:	117363778
Reduced:	ClFO2C12H14 (1)
Stoich.:	ABC2D12E14 (1)
Weight, g/mol:	244.066635
ΔH_f, kcal/mol:	-148.34
Dipole, Da:	5.25
IP(EA), eV:	-9.66(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3-chloro-2-fluoro-5-propan-2-ylphenyl)propanoic acid

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=C1)Cl)F)CC(C)(C)C(=O)O

DOS

IR

Vibrations