(5Z)-4-Methoxy-3-Methyl-5-[(1R,9S,10R,11R,12S)-12-Methyl-14,15-Dioxa-5-Azatetracyclo[7.5.1.0~1,11~.0~5,10~]Pentadec-13-Ylidene]-2(5H)-Furanone

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Properties Simple | Detailed

Formula C19H25NO5
IUPAC Name (5z)-4-methoxy-3-methyl-5-[(1r,9s,10r,11r,12s)-12-methyl-14,15-dioxa-5-azatetracyclo[7.5.1.0 1,11 .0 5,10 ]pentadec-13-ylidene]-2(5h)-furanone
Molecular Mass 347.406 g·mol−1
Heat of Formation -604.5 ± 16.7 kJ·mol−1
Dipole Moment 7.87 ± 1.08 D
Volume 399.13 Å 3
Surface Area 337.28 Å 2
HOMO Energy -8.58 ± 0.55 eV
LUMO Energy -0.42 ± eV
Point Group Symmetry C1
InChIKey LXAQGNNSRKLTLE-KDZIKLRDSA-N
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