6-fluoro-2-[4-(2-fluorophenyl)phenyl]-3-methylquinoline-4-carboxylic acid

• Molecule
• Thermodynamics
• Molecular Orbitals
• Vibrational Frequencies
• Polarity and Solvation

Molecule Viewer

Thermodynamics at 298.15 K and standard pressure

Enthalpy
Property	Value	Unit
Translational	6.20	kJ mol-1
Rotational	3.72	kJ mol-1
Vibrational	44.01	kJ mol-1
Total (Trans. + Rot. + Vib.)	53.92	kJ mol-1

Heat Capacity at Constant Pressure
Property	Value	Unit
Translational	20.79	J mol-1 K-1
Rotational	12.47	J mol-1 K-1
Vibrational	67.78	J mol-1 K-1
Total (Trans. + Rot. + Vib.)	101.04	J mol-1 K-1

Entropy
Property	Value	Unit
Translational	173.08	J mol-1 K-1
Rotational	114.49	J mol-1 K-1
Vibrational	81.92	J mol-1 K-1
Total (Trans. + Rot. + Vib.)	369.49	J mol-1 K-1

Other Properties
Property	Value	Unit
Heat of Formation	-316.88	kJ mol-1

Molecular Orbitals

• 1 -13206.25 eV View
• 2 -1747.95 eV View
• 3 -1588.18 eV View
• 4 -1588.18 eV View
• 5 -1588.18 eV View
• 6 -703.98 eV View
• 7 -703.97 eV View
• 8 -703.97 eV View
• 9 -700.76 eV View
• 10 -700.76 eV View
• 11 -263.64 eV View
• 12 -200.60 eV View
• 13 -200.60 eV View
• 14 -200.56 eV View
• 15 -75.22 eV View
• 16 -75.22 eV View
• 17 -75.22 eV View
• 18 -75.18 eV View
• 19 -75.18 eV View
• 20 -42.19 eV View
• 21 -40.43 eV View
• 22 -40.43 eV View
• 23 -38.85 eV View
• 24 -38.22 eV View
• 25 -26.71 eV View
• 26 -18.63 eV View
• 27 -18.63 eV View
• 28 -18.29 eV View
• 29 -13.36 eV View
• 30 -13.36 eV View
• 31 -13.17 eV View
• 32 -12.91 eV View
• 33 -12.91 eV View
• 34 -12.46 eV View
• 35 -11.07 eV View
• 36 -11.07 eV View
• 37 -10.91 eV View
• 38 -10.91 eV View
• 39 -8.87 eV View
• 40 -2.44 eV View
• 41 4.96 eV View
• 42 4.96 eV View
• 43 7.70 eV View
• 44 2900.16 eV View

Calculate

Aqueous Solvation Energy at 298.15 K

Surface
Dipole
Translucent Molecule

Property	Value	Unit
Total Solvation Energy	0.00	kJ mol-1
Polar Solvation Energy	0.00	kJ mol-1
Nonpolar Solvation Energy	0.00	kJ mol-1

Surface Area		Å2
Charge of Molecule	0
Dipole	0.00	Debye