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
Properties
Property | Value |
---|---|
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 |
QR Code | Generate QR Code |
Links | ChemSpider |
DOI | |
Downloads | Get JSON data Get MOL2 data Get SVG Image |
Elements | H C N O Cl |