N~3~-Benzyl-2-[(6-Bromo-1,3-Benzodioxol-5-Yl)Methyl]Imidazo[1,2-A]Pyrazine-3,8-Diamine

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Properties Simple | Detailed

Formula C21H19BrN5O2+
IUPAC Name n3-benzyl-2-[(6-bromo-1,3-benzodioxol-5-yl)methyl]imidazo[1,2-a]pyrazin-4-ium-8-ylium-3,8-diamine
Molecular Mass 453.312 g·mol−1
Heat of Formation 222.5 ± 16.7 kJ·mol−1
Dipole Moment 2.95 ± 1.08 D
Volume 459.36 Å 3
Surface Area 360.31 Å 2
HOMO Energy -8.49 ± 0.55 eV
LUMO Energy 2.56 ± eV
Point Group Symmetry C1
InChIKey QOEANVPMVDTINQ-UHFFFAOYSA-N
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Elements H C Br O N