4-(3-Morpholinopropylamino)-5-Nitro-2-(Pyridin-1-Ium-3-Id-3-Ylmethylamino)Benzamide

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Properties Simple | Detailed

Formula C20H27N6O4
IUPAC Name 4-(3-morpholinopropylamino)-5-nitro-2-(pyridin-1-ium-3-id-3-ylmethylamino)benzamide
Molecular Mass 415.466 g·mol−1
Heat of Formation -193.2 ± 16.7 kJ·mol−1
Dipole Moment 5.16 ± 1.08 D
Volume 483.42 Å 3
Surface Area 437.38 Å 2
HOMO Energy -9.04 ± 0.55 eV
LUMO Energy -1.01 ± eV
Point Group Symmetry C1
InChIKey VAODTDYHLCYIOL-UHFFFAOYSA-N
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