(5S)-6-Methyl-7,8-Dihydro-6H-Spiro[1,3-Dioxolo[4,5-G]Isoquinoline-5,7'-Indeno[4,5-D][1,3]Dioxol]-8'(6'H)-One

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Properties Simple | Detailed

Formula C20H17NO5
IUPAC Name (7s)-6'-methylspiro[6h-cyclopenta[g][1,3]benzodioxole-7,5'-7,8-dihydro-[1,3]dioxolo[4,5-g]isoquinoline]-8-one
Molecular Mass 351.353 g·mol−1
Heat of Formation -419.4 ± 16.7 kJ·mol−1
Dipole Moment 3.63 ± 1.08 D
Volume 383.18 Å 3
Surface Area 327.37 Å 2
HOMO Energy -8.60 ± 0.55 eV
LUMO Energy -0.64 ± eV
Point Group Symmetry C1
Synonyms
  • (7s)-6'-methyl-8-spiro[6h-cyclopenta[g][1,3]benzodioxole-7,5'-7,8-dihydro-[1,3]dioxolo[4,5-g]isoquinoline]one
  • (7s)-6'-methylspiro[6h-cyclopenta[g][1,3]benzodioxole-7,5'-7,8-dihydro-[1,3]dioxolo[4,5-g]isoquinoline]-8-one
  • fumarilin
  • fumariline
  • spiro(1,3-dioxolo(4,5-g)isoquinoline-5(6h),7'-(7h)indeno(4,5-d)(1-3)dioxol)-8'(6'h)-one, 7,8-dihydro-6-methyl-, (s)-
CAS Number(s)
  • 20411-03-4
InChIKey GGQGUBWFVKJOER-FQEVSTJZSA-N
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