3-(1-Azepanyl)-9-(Dimethylamino)Pyrido[3',2':4,5]Thieno[3,2-D]Pyrimidin-4(3H)-One

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Formula C17H21N5OS+
IUPAC Name 3-(azepan-1-yl)-9-(dimethylamino)pyrido[1,2]thieno[3,4-d]pyrimidin-4-one
Molecular Mass 343.447 g·mol−1
Heat of Formation 189.5 ± 16.7 kJ·mol−1
Dipole Moment 6.94 ± 1.08 D
Volume 400.08 Å 3
Surface Area 341.48 Å 2
HOMO Energy -8.37 ± 0.55 eV
LUMO Energy -1.54 ± eV
Point Group Symmetry C1
InChIKey GYWGXEGOXODOQU-UHFFFAOYSA-N
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