2-Methyl-5-(4-Methyl-1-Piperazinyl)-11H-[1,2,4]Triazolo[1,5-C][1,3]Benzodiazepine 6-Oxide
Properties
Property | Value |
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Formula | C16H20N6O |
IUPAC Name | 2-methyl-5-(4-methylpiperazin-1-yl)-6-oxido-11h-[1,2,4]triazolo[1,5-c][1,3]benzodiazepin-6-ium |
Molecular Mass | 312.370 g·mol−1 |
Heat of Formation | 448.4 ± 16.7 kJ·mol−1 |
Dipole Moment | 1.66 ± 1.08 D |
Volume | 367.9 Å 3 |
Surface Area | 325.86 Å 2 |
HOMO Energy | -8.44 ± 0.55 eV |
LUMO Energy | 1.07 ± eV |
Point Group Symmetry | C1 |
Synonyms |
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CAS Number(s) |
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InChIKey | WOKXTQDTAUERAK-UHFFFAOYSA-N |
QR Code | Generate QR Code |
Links | PubChem ChemSpider |
DOI | |
Downloads | Get JSON data Get MOL2 data Get SVG Image |
Elements | H C O N |