(4S)-4-Butyl-1-Phenyl-3,5-Pyrazolidinedione

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Properties Simple | Detailed

Formula C13H16N2O2
IUPAC Name (4s)-4-butyl-1-phenyl-pyrazolidine-3,5-dione
Molecular Mass 232.278 g·mol−1
Heat of Formation -189.5 ± 16.7 kJ·mol−1
Dipole Moment 1.91 ± 1.08 D
Volume 287.93 Å 3
Surface Area 263.51 Å 2
HOMO Energy -9.19 ± 0.55 eV
LUMO Energy -0.43 ± eV
Point Group Symmetry C1
InChIKey REOJLIXKJWXUGB-NSHDSACASA-N
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