5-(4-Chloro-3-Methylphenyl)-1-[(4-Methylphenyl)(~3~H_2_)Methyl]-N-[(1S,2S,4R)-1,3,3-Trimethylbicyclo[2.2.1]Hept-2-Yl]-1H-Pyrazole-3-Carboxamide

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Properties Simple | Detailed

Formula C29H34ClN3O
IUPAC Name 5-(4-chloro-3-methyl-phenyl)-1-[(4-methylphenyl)methyl]-n-[(1s,2r,4r)-1,3,3-trimethylnorbornan-2-yl]pyrazol-1-ium-5-ylium-3-carboxamide
Molecular Mass 476.053 g·mol−1
Heat of Formation 985.6 ± 16.7 kJ·mol−1
Dipole Moment 5.10 ± 1.08 D
Volume 577.58 Å 3
Surface Area 450.62 Å 2
HOMO Energy -8.61 ± 0.55 eV
LUMO Energy -0.75 ± eV
Point Group Symmetry C1
InChIKey SUGVYNSRNKFXQM-RVBRUHEGSA-N
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Elements H C N O Cl