N,N'-{[3-(2-Amino-1H-Imidazol-5-Yl)-4-(2-Amino-5-Oxo-4,5-Dihydro-1H-Imidazol-4-Yl)-1,2-Cyclobutanediyl]Bis(Methylene)}Bis(4-Bromo-1H-Pyrrole-2-Carboxamide)

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Properties Simple | Detailed

Formula C22H25Br2N10O3+
IUPAC Name [4-[2-(2-amino-5-oxo-1,4-dihydroimidazol-4-yl)-3,4-bis[[(4-bromo-1h-pyrrole-2-carbonyl)amino]methyl]cyclobutyl]-1,3-dihydroimidazol-2-ylidene]ammonium
Molecular Mass 637.307 g·mol−1
Heat of Formation -12.5 ± 16.7 kJ·mol−1
Dipole Moment 5.76 ± 1.08 D
Volume 617.79 Å 3
Surface Area 498.44 Å 2
HOMO Energy -8.49 ± 0.55 eV
LUMO Energy -0.20 ± eV
Point Group Symmetry C1
InChIKey BCDVBQKLSBGFBQ-QJHMNFFWSA-N
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Elements H C O Br N