2-{(1S)-1-[(6-Chloro-3,3-Dimethyl-3,4-Dihydro-1-Isoquinolinyl)Amino]-2-Phenylethyl}Pyrido[4,3-D]Pyrimidin-4(1H)-One

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Properties Simple | Detailed

Formula C26H26ClN5O
IUPAC Name 2-[(1s)-1-[(6-chloro-3,3-dimethyl-4h-isoquinolin-1-yl)amino]-2-phenyl-ethyl]-3,8-dihydropyrido[4,3-d]pyrimidine-1,6-diium-4a,8-diid-4-one
Molecular Mass 459.971 g·mol−1
Heat of Formation 186.1 ± 16.7 kJ·mol−1
Dipole Moment 2.73 ± 1.08 D
Volume 537.4 Å 3
Surface Area 414.89 Å 2
HOMO Energy -9.55 ± 0.55 eV
LUMO Energy 1.86 ± eV
Point Group Symmetry C1
InChIKey DQYKHJYAOKSEPD-QFIPXVFZSA-O
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Elements H C Cl O N