Formula |
C16H15ClN2O2 |
IUPAC Name |
(4r,5r)-8-chloro-3'-methyl-4-(methylamino)spiro[3,4-dihydrobenzo[cd]indol-1-ium-5,5'-furan]-2'-one |
Molecular Mass |
302.756 g·mol−1 |
Heat of Formation |
-110.5 ± 16.7 kJ·mol−1 |
Dipole Moment |
6.80 ± 1.08 D |
Volume |
337.78 Å 3 |
Surface Area |
296.43 Å 2 |
HOMO Energy |
-8.78 ± 0.55 eV |
LUMO Energy |
-0.65 ± eV |
Point Group Symmetry |
C1
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Synonyms
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- 8-chlororugulovasine b
- spiro(benz(cd)indole-5(1h),2'(5'h)-furan)-5'-one, 8-chloro-3,4-dihydro-4'-methyl-4-(phenylamino)-, trans-(+-)-
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CAS Number(s) |
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InChIKey |
SDYOUVJWVNBXPX-MLGOLLRUSA-N |
QR Code |
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Links |
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Downloads |
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Elements |
H
C
N
O
Cl
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