(3S,6S)-3-(1H-Imidazol-5-Ylmethyl)-6-Isobutyl-2,5-Piperazinedione
Properties
Property | Value |
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Formula | C12H18N4O2 |
IUPAC Name | (3s,6s)-3-(imidazol-3-ium-4-ylium-4-ylmethyl)-6-isobutyl-piperazine-2,5-dione |
Molecular Mass | 250.297 g·mol−1 |
Heat of Formation | -310.2 ± 16.7 kJ·mol−1 |
Dipole Moment | 4.25 ± 1.08 D |
Volume | 305.0 Å 3 |
Surface Area | 275.99 Å 2 |
HOMO Energy | -9.37 ± 0.55 eV |
LUMO Energy | 0.35 ± eV |
Point Group Symmetry | C1 |
Synonyms |
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CAS Number(s) |
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InChIKey | QYFSHTYKVAOVJM-UWVGGRQHSA-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 |