Formula |
C11H13NO4 |
IUPAC Name |
(1r)-6,7-dihydroxy-1-methyl-3,4-dihydro-2h-isoquinoline-1-carboxylic acid |
Molecular Mass |
223.225 g·mol−1 |
Heat of Formation |
-665.4 ± 16.7 kJ·mol−1 |
Dipole Moment |
2.54 ± 1.08 D |
Volume |
251.41 Å 3 |
Surface Area |
228.9 Å 2 |
HOMO Energy |
-8.91 ± 0.55 eV |
LUMO Energy |
-0.19 ± eV |
Point Group Symmetry |
C1
|
Synonyms
|
- (1r)-6,7-dihydroxy-1-methyl-3,4-dihydroisoquinolin-2-ium-1-carboxylate
|
InChIKey |
XHGLVMDBZZZXDP-LLVKDONJSA-N |
QR Code |
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Links |
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|
DOI |
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Downloads |
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|
Elements |
H
C
O
N
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