(4R,5S)-N-(4-Bromophenyl)-3-Oxo-4,5-Diphenyl-1-Pyrazolidinecarboxamide

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Properties Simple | Detailed

Formula C22H18BrN3O2
IUPAC Name (4r,5s)-n-(4-bromophenyl)-3-oxo-4,5-diphenyl-pyrazolidine-1-carboxamide
Molecular Mass 436.301 g·mol−1
Heat of Formation 101.1 ± 16.7 kJ·mol−1
Dipole Moment 5.62 ± 1.08 D
Volume 457.2 Å 3
Surface Area 389.35 Å 2
HOMO Energy -9.05 ± 0.55 eV
LUMO Energy -0.58 ± eV
Point Group Symmetry C1
Synonyms
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InChIKey LMUQHXHWJWQXSD-WOJBJXKFSA-N
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Elements H C O Br N