4-{[3-(4-Morpholinyl)Propyl]Amino}-5-Nitro-2-[(3-Pyridinylmethyl)Amino]Benzamide

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Properties Simple | Detailed

Formula C20H26N6O4
IUPAC Name 4-(3-morpholinopropylamino)-5-nitro-2-(3-pyridylmethylamino)benzamide
Molecular Mass 414.458 g·mol−1
Heat of Formation 2799.6 ± 16.7 kJ·mol−1
Dipole Moment 10.23 ± 1.08 D
Volume 427.55 Å 3
Surface Area 370.1 Å 2
HOMO Energy -8.51 ± 0.55 eV
LUMO Energy -2.57 ± eV
Point Group Symmetry C1
InChIKey CJWWRAGBHVIPTP-UHFFFAOYSA-N
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