Formula |
C22H22N6O2 |
IUPAC Name |
2-[1-[6-[6-(cyclopentylamino)-7h-indazol-1-ium-7-id-1-yl]pyrazin-2-yl]-2h-pyrrol-1-ium-2-ylium-3-yl]acetic acid |
Molecular Mass |
402.449 g·mol−1 |
Heat of Formation |
174.2 ± 16.7 kJ·mol−1 |
Dipole Moment |
6.82 ± 1.08 D |
Volume |
473.21 Å 3 |
Surface Area |
419.52 Å 2 |
HOMO Energy |
-8.41 ± 0.55 eV |
LUMO Energy |
-1.12 ± eV |
Point Group Symmetry |
C1
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Synonyms
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- 2-[1-[6-[6-(cyclopentylamino)-1-indazolyl]-2-pyrazinyl]-3-pyrrolyl]acetic acid
- 2-[1-[6-[6-(cyclopentylamino)indazol-1-yl]pyrazin-2-yl]pyrrol-3-yl]acetic acid
- 2-[1-[6-[6-(cyclopentylamino)indazol-1-yl]pyrazin-2-yl]pyrrol-3-yl]ethanoic acid
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InChIKey |
YQTMYRNBXJDYDN-UHFFFAOYSA-N |
QR Code |
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Links |
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Elements |
H
C
O
N
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