6-Amino-2-(Methylamino)-4-[2-[[4-(2-Pyridin-1-Ium-3-Id-3-Ylethynyl)Cyclohexyl]Methylamino]Ethyl]-1,7-Dihydroimidazo[4,5-G]Quinazoline-3,5-Diium-4,8A-Diid-8-One

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Properties Simple | Detailed

Formula C26H33N8O
IUPAC Name 6-amino-2-(methylamino)-4-[2-[[4-(2-pyridin-1-ium-3-id-3-ylethynyl)cyclohexyl]methylamino]ethyl]-1,7-dihydroimidazo[4,5-g]quinazoline-3,5-diium-4,8a-diid-8-one
Molecular Mass 473.593 g·mol−1
Heat of Formation 377.7 ± 16.7 kJ·mol−1
Dipole Moment 6.22 ± 1.08 D
Volume 570.05 Å 3
Surface Area 512.88 Å 2
HOMO Energy -8.47 ± 0.55 eV
LUMO Energy 2.20 ± eV
Point Group Symmetry C1
InChIKey MLISWESPOBHCBY-PMWHFYLZSA-O
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