2-(3,4-Dimethoxybenzyl)-7-[(2R,3R)-2-Hydroxy-6-Phenyl-3-Hexanyl]-5-Methylimidazo[5,1-F][1,2,4]Triazin-4(1H)-One

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Properties Simple | Detailed

Formula C27H33N4O4
IUPAC Name 2-[(3,4-dimethoxyphenyl)methyl]-7-[(2r,3r)-2-hydroxy-6-phenylhexan-3-yl]-5-methyl-1h-imidazo[5,1-f][1,2,4]triazin-4-one
Molecular Mass 477.575 g·mol−1
Heat of Formation -412.4 ± 16.7 kJ·mol−1
Dipole Moment 5.69 ± 1.08 D
Volume 583.73 Å 3
Surface Area 416.26 Å 2
HOMO Energy -8.60 ± 0.55 eV
LUMO Energy 2.50 ± eV
Point Group Symmetry C1
InChIKey MYTWFJKBZGMYCS-NQIIRXRSSA-N
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