Formula |
C7H9N5O |
IUPAC Name |
3-(2,3-diaza-1-azonia-4-azanidacyclopenta-2,5-dien-5-ylamino)cyclohex-2-en-1-one |
Molecular Mass |
179.179 g·mol−1 |
Heat of Formation |
200.7 ± 16.7 kJ·mol−1 |
Dipole Moment |
3.14 ± 1.08 D |
Volume |
201.87 Å 3 |
Surface Area |
199.09 Å 2 |
HOMO Energy |
-9.69 ± 0.55 eV |
LUMO Energy |
1.98 ± eV |
Point Group Symmetry |
C1
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Synonyms
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- 3-(2h-1,2,3,4-tetrazol-5-ylamino)cyclohex-2-en-1-one
- 3-(2h-tetrazol-5-ylamino)-1-cyclohex-2-enone
- 3-(2h-tetrazol-5-ylamino)cyclohex-2-en-1-one
- cyclohex-2-enone, 3-(2h-tetrazol-5-ylamino)-
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InChIKey |
REZXFQGPXQJVJG-UHFFFAOYSA-N |
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Links |
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Elements |
H
C
O
N
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