(3S,6S,12E)-12-Benzylidene-3-Isobutyl-1,6,7-Trimethyl-1,4,7,10-Tetraazacyclododecane-2,5,8,11-Tetrone
Properties
Property | Value |
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Formula | C22H30N4O4 |
IUPAC Name | (3s,6s,12e)-12-benzylidene-3-isobutyl-1,6,7-trimethyl-1,4,7,10-tetrazacyclododecane-2,5,8,11-tetrone |
Molecular Mass | 414.498 g·mol−1 |
Heat of Formation | -608.7 ± 16.7 kJ·mol−1 |
Dipole Moment | 6.89 ± 1.08 D |
Volume | 512.59 Å 3 |
Surface Area | 397.17 Å 2 |
HOMO Energy | -9.16 ± 0.55 eV |
LUMO Energy | 2.81 ± eV |
Point Group Symmetry | C1 |
Synonyms |
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CAS Number(s) |
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InChIKey | SIIRBDOFKDACOK-YQMBXKBSSA-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 |