5-Cyclopropyl-3-(19,20-Diaza-22,23-Diazoniatetracyclo[Blah.Blah.Blah.Blah.Blah]Hexadeca-1,3(10),4(11),9(23),12(19),13(22),15(20)-Heptaen-15-Yl)-1-Oxa-4-Azonia-2-Azanidacyclopenta-3,4-Diene
Properties
Property | Value |
---|---|
Formula | C17H16N6O+++ |
IUPAC Name | 5-cyclopropyl-3-(19,20-diaza-22,23-diazoniatetracyclo[blah.blah.blah.blah.blah]hexadeca-1,3(10),4(11),9(23),12(19),13(22),15(20)-heptaen-15-yl)-1-oxa-4-azonia-2-azanidacyclopenta-3,4-diene |
Molecular Mass | 320.349 g·mol−1 |
Heat of Formation | 606.8 ± 16.7 kJ·mol−1 |
Dipole Moment | 3.81 ± 1.08 D |
Volume | 357.59 Å 3 |
Surface Area | 318.62 Å 2 |
HOMO Energy | -8.41 ± 0.55 eV |
LUMO Energy | 1.04 ± eV |
Point Group Symmetry | C1 |
InChIKey | ZLYPCXYQUTYTNG-UHFFFAOYSA-P |
QR Code | Generate QR Code |
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DOI | |
Downloads | Get JSON data Get MOL2 data Get SVG Image |
Elements | H C O N |