Ethyl (S)-5-Amino-1,2-Dihydro-2-Methyl-3-Phenylpyrido[3,4-B]Pyrazine-7-Carbamate

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Formula C17H19N5O2
IUPAC Name ethyl n-[(2s)-5-amino-2-methyl-3-phenyl-1,2-dihydropyrido[3,4-b]pyrazin-7-yl]carbamate
Molecular Mass 325.365 g·mol−1
Heat of Formation -100.3 ± 16.7 kJ·mol−1
Dipole Moment 4.03 ± 1.08 D
Volume 383.94 Å 3
Surface Area 351.57 Å 2
HOMO Energy -8.22 ± 0.55 eV
LUMO Energy 2.65 ± eV
Point Group Symmetry C1
Synonyms
  • ethyl n-[(2s)-5-amino-2-methyl-3-phenyl-1,2-dihydropyrido[5,4-e]pyrazin-7-yl]carbamate
  • n-[(2s)-5-amino-2-methyl-3-phenyl-1,2-dihydropyrido[5,4-e]pyrazin-7-yl]carbamic acid ethyl ester
  • s-(-)-pyrido[3,4-b]pyrazin-7-ylcarbamic acid,5-amino-1,2- dihydro-2-methyl-3-phenyl-,ethyl ester, 2-(hydroxyethyl)sulfonate [1:1].
InChIKey XXBDOTXPQDVHIP-JTQLQIEISA-N
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