39,42-Dimethyl-20,31-Diaza-1,12-Diazoniapentacyclo[30.6.2.2~12,19~.0~13,18~.0~33,38~]Dotetraconta-1(39),12(42),13,15,17,19(41),32(40),33,35,37-Decaene
Properties
| Property | Value |
|---|---|
| Formula | C40H58N4++ |
| IUPAC Name | buta-1,3-diyne; (r)-buta-1,3-diynyl-[(e)-[(1r,3r,4r)-5-but-1-en-3-ynylidene-3-methyl-3-azabicyclo[2.2.0]hexan-2-ylidene]methyl]-methanidyl-ammonium; n-[(z)-but-1-en-3-ynyl]-n'-methanidyl-n-[(e)-1-methylbut-1-enyl]hex-5-en-3-ynamidine; cyclopropene; hydron; λ2-carbane |
| Molecular Mass | 594.915 g·mol−1 |
| Heat of Formation | 6750.7 ± 16.7 kJ·mol−1 |
| Dipole Moment | 10.53 ± 1.08 D |
| Volume | 571.47 Å 3 |
| Surface Area | 458.26 Å 2 |
| HOMO Energy | -6.46 ± 0.55 eV |
| LUMO Energy | -2.90 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | ZFWYZPJOMMIRAM-WWUXXHOVSA-P |
| QR Code | Generate QR Code |
| Links | PubChem ChemSpider |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | C N |