Formula |
C35H36N4O5 |
IUPAC Name |
carbon dioxide; [2-[5-[2-(cyanomethyl)-3-methylene-4-oxo-3ah-cyclopenta[b]pyrrol-1-ium-6-yl]-4-ethynyl-3-methyl-pyrrol-1-ium-2-yl]cyclopropen-1-yl]-methylidyne-ammonium |
Molecular Mass |
592.684 g·mol−1 |
Heat of Formation |
-315.1 ± 16.7 kJ·mol−1 |
Dipole Moment |
2.42 ± 1.08 D |
Volume |
709.34 Å 3 |
Surface Area |
573.23 Å 2 |
HOMO Energy |
-7.64 ± 0.55 eV |
LUMO Energy |
-1.91 ± eV |
Point Group Symmetry |
C1
|
InChIKey |
OINDWIFDMFYGDX-QEWKCGBTSA-N |
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Elements |
H
C
O
N
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