Formula |
C25H28N6O2 |
IUPAC Name |
3-tert-butyl-1-propyl-5-[[4-[2-(2h-tetrazol-5-yl)phenyl]phenyl]methyl]pyrazole-4-carboxylic acid |
Molecular Mass |
444.529 g·mol−1 |
Heat of Formation |
117.7 ± 16.7 kJ·mol−1 |
Dipole Moment |
7.12 ± 1.08 D |
Volume |
541.31 Å 3 |
Surface Area |
430.89 Å 2 |
HOMO Energy |
-9.38 ± 0.55 eV |
LUMO Energy |
-0.48 ± eV |
Point Group Symmetry |
C1
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Synonyms
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- 3-tert-butyl-1-propyl-5-[4-[2-(2h-tetrazol-5-yl)phenyl]benzyl]pyrazole-4-carboxylic acid
- 3-tert-butyl-1-propyl-5-[[4-[2-(2h-1,2,3,4-tetrazol-5-yl)phenyl]phenyl]methyl]pyrazole-4-carboxylic acid
- 3-tert-butyl-1-propyl-5-[[4-[2-(2h-tetrazol-5-yl)phenyl]phenyl]methyl]-4-pyrazolecarboxylic acid
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InChIKey |
BQHRGPUDARSBJA-UHFFFAOYSA-N |
QR Code |
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Links |
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DOI |
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Downloads |
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Elements |
H
C
O
N
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