N-(1-Cyclopropylethyl)-2-Phenoxy-4H-Pyrrolo[2,3-B]Pyrazine-7-Carboxamide

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Formula C18H18N4O2
IUPAC Name n-[(1s)-1-cyclopropylethyl]-2-phenoxy-pyrrolo[2,3-b]pyrazin-5-ium-7-carboxamide
Molecular Mass 322.361 g·mol−1
Heat of Formation 79.9 ± 16.7 kJ·mol−1
Dipole Moment 2.40 ± 1.08 D
Volume 385.58 Å 3
Surface Area 315.28 Å 2
HOMO Energy -9.24 ± 0.55 eV
LUMO Energy -1.07 ± eV
Point Group Symmetry C1
InChIKey TUNBOTWJAARGCJ-NSHDSACASA-N
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