Ethyl [(2R)-5-Amino-2-Methyl-3-Phenyl-1,2-Dihydropyrido[3,4-B]Pyrazin-7-Yl]Carbamate

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Formula C17H19N5O2
IUPAC Name ethyl n-[(2r)-5-amino-2-methyl-3-phenyl-1,2-dihydropyrido[3,4-b]pyrazine-4,6-diium-7-yl]carbamate
Molecular Mass 325.365 g·mol−1
Heat of Formation -95.9 ± 16.7 kJ·mol−1
Dipole Moment 3.83 ± 1.08 D
Volume 381.66 Å 3
Surface Area 351.36 Å 2
HOMO Energy -8.13 ± 0.55 eV
LUMO Energy 2.43 ± eV
Point Group Symmetry C1
Synonyms
  • ethyl n-[(2r)-5-amino-2-methyl-3-phenyl-1,2-dihydropyrido[5,4-e]pyrazin-7-yl]carbamate
  • n-[(2r)-5-amino-2-methyl-3-phenyl-1,2-dihydropyrido[5,4-e]pyrazin-7-yl]carbamic acid ethyl ester
  • r-(+)-pyrido[3,4-b]pyrazin-7-ylcarbamic acid,5-amino-1,2- dihydro-2-methyl-3-phenyl-,ethyl ester, hydrate [10:3]
InChIKey XXBDOTXPQDVHIP-SNVBAGLBSA-N
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