[5-(3-Bromo-7-Aza-1-Azonia-8-Azanidabicyclo[4.3.0]Nona-1(9),2,4,6-Tetraen-9-Yl)-2,4-Dihydroxy-Phenyl]-(4-Methylpiperazin-1-Yl)Methanone

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Properties Simple | Detailed

Formula C18H19BrN5O3+
IUPAC Name [5-(3-bromo-7-aza-1-azonia-8-azanidabicyclo[4.3.0]nona-1(9),2,4,6-tetraen-9-yl)-2,4-dihydroxy-phenyl]-(4-methylpiperazin-1-yl)methanone
Molecular Mass 433.279 g·mol−1
Heat of Formation -121.4 ± 16.7 kJ·mol−1
Dipole Moment 4.65 ± 1.08 D
Volume 427.22 Å 3
Surface Area 373.16 Å 2
HOMO Energy -9.08 ± 0.55 eV
LUMO Energy 1.55 ± eV
Point Group Symmetry C1
InChIKey HIRIXEFTRZRFNB-UHFFFAOYSA-O
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Elements H C Br O N