(1E)-1-[(3,4-Dioxocyclohexa-1,5-Dien-1-Yl)-Hydroxy-Methylene]-6,7-Dihydroxy-2,4,5,8-Tetrahydroisoquinoline-3,4,4A,5,6,7,8,8A-Octaide-3-Carboxylic Acid

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Formula C17H19NO7
IUPAC Name (1e)-1-[(3,4-dioxocyclohexa-1,5-dien-1-yl)-hydroxy-methylene]-6,7-dihydroxy-2,4,5,8-tetrahydroisoquinoline-3,4,4a,5,6,7,8,8a-octaide-3-carboxylic acid
Molecular Mass 349.335 g·mol−1
Heat of Formation -773.7 ± 16.7 kJ·mol−1
Dipole Moment 4.42 ± 1.08 D
Volume 359.86 Å 3
Surface Area 323.51 Å 2
HOMO Energy -8.32 ± 0.55 eV
LUMO Energy -1.91 ± eV
Point Group Symmetry C1
InChIKey VZZCEOWNDBDNCE-FOCLMDBBSA-O
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