Theodrenaline

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Formula C17H21N5O5
IUPAC Name 7-[2-[[(2r)-2-(3,4-dihydroxyphenyl)-2-hydroxy-ethyl]amino]ethyl]-1,3-dimethyl-8h-purine-4,5,8,9-tetraide-2,6-dione
Molecular Mass 375.379 g·mol−1
Heat of Formation -631.7 ± 16.7 kJ·mol−1
Dipole Moment 7.55 ± 1.08 D
Volume 433.0 Å 3
Surface Area 321.14 Å 2
HOMO Energy -8.48 ± 0.55 eV
LUMO Energy -0.42 ± eV
Point Group Symmetry C1
InChIKey WMCMJIGLYZDKRN-ZDUSSCGKSA-N
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