| Formula |
C18H19F3N6O2 |
| IUPAC Name |
n-(diaminomethylene)-4-[4-(pyrrol-1-ium-2-ylium-2-carbonyl)piperazin-1-yl]-3-(trifluoromethyl)benzamide |
| Molecular Mass |
408.378 g·mol−1 |
| Heat of Formation |
-707.8 ± 16.7 kJ·mol−1 |
| Dipole Moment |
5.17 ± 1.08 D |
| Volume |
447.21 Å 3 |
| Surface Area |
384.09 Å 2 |
| HOMO Energy |
-9.24 ± 0.55 eV |
| LUMO Energy |
2.15 ± eV |
| Point Group Symmetry |
C1
|
| Synonyms
|
- n-(diaminomethylene)-4-[4-(1h-pyrrole-2-carbonyl)piperazin-1-yl]-3-(trifluoromethyl)benzamide
- n-(diaminomethylene)-4-[4-[oxo-(1h-pyrrol-2-yl)methyl]-1-piperazinyl]-3-(trifluoromethyl)benzamide
- n-(diaminomethylidene)-4-[4-(1h-pyrrol-2-ylcarbonyl)piperazin-1-yl]-3-(trifluoromethyl)benzamide
|
| InChIKey |
SRRHGTUDJFMQIV-UHFFFAOYSA-N |
| QR Code |
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| Links |
PubChem
ChemSpider
|
| DOI |
|
| Downloads |
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|
| Elements |
H
C
N
O
F
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