N-[(2S,5R)-5-Carbamoyladamantan-2-Yl]-4-{5-[4-(2-Methyl-2-Propanyl)-1-Piperazinyl]-2-Pyridinyl}-3,4-Dihydro-1(2H)-Quinoxalinecarboxamide

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Properties Simple | Detailed

Formula C33H45N7O2
IUPAC Name 4-[5-(4-tert-butylpiperazin-1-yl)-2-pyridyl]-n-[(1r,3s)-5-carbamoyl-2-adamantyl]-2,3-dihydroquinoxaline-1-carboxamide
Molecular Mass 571.756 g·mol−1
Heat of Formation -182.6 ± 16.7 kJ·mol−1
Dipole Moment 5.64 ± 1.08 D
Volume 699.52 Å 3
Surface Area 564.07 Å 2
HOMO Energy -7.90 ± 0.55 eV
LUMO Energy 2.81 ± eV
Point Group Symmetry C1
InChIKey RZUKTDWPBQOSBE-PKZLOJIYSA-N
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