Formula |
C30H33N7O |
IUPAC Name |
ammonia; [3-[4-[1-ethyl-3-[(e)-1-ethylprop-1-enyl]-4h-pyrazol-1-ium-4-yl]-4h-pyrrolo[2,3-b]pyridin-1-ium-2-yl]phenyl]methanamine; hydrate |
Molecular Mass |
507.629 g·mol−1 |
Heat of Formation |
335.0 ± 16.7 kJ·mol−1 |
Dipole Moment |
3.85 ± 1.08 D |
Volume |
626.56 Å 3 |
Surface Area |
483.69 Å 2 |
HOMO Energy |
-8.24 ± 0.55 eV |
LUMO Energy |
2.61 ± eV |
Point Group Symmetry |
C1
|
InChIKey |
QTBWCSQGBMPECM-UHFFFAOYSA-N |
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Links |
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Elements |
H
C
O
N
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