2-[(3S)-3-Amino-1-Piperidinyl]-1-(2-Cyanobenzyl)-5-Methyl-4,6-Dioxo-3,4,5,6-Tetrahydropyrrolo[3,4-D]Imidazol-1-Ium

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Properties Simple | Detailed

Formula C19H21N6O2+
IUPAC Name hydron; 2-[[2-[methanidyl(methyl)amino]-5-methyl-4,6-dioxo-1h-pyrrolo[3,4-d]imidazol-2-id-3-yl]methyl]benzonitrile; [(z)-prop-1-enyl]ammonium
Molecular Mass 365.409 g·mol−1
Heat of Formation 2408.9 ± 16.7 kJ·mol−1
Dipole Moment 2.73 ± 1.08 D
Volume 384.4 Å 3
Surface Area 334.32 Å 2
HOMO Energy -8.45 ± 0.55 eV
LUMO Energy -3.08 ± eV
Point Group Symmetry C1
InChIKey WVRGIUWTFUXDGX-AWEZNQCLSA-O
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