Barnidipine

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Properties Simple | Detailed

Formula C27H29N3O6
IUPAC Name (4s)-5-[(1r,3s)-1-benzylpyrrolidin-3-yl]oxycarbonyl-2,6-dimethyl-4-[(z)-1-[(e)-2-nitrovinyl]prop-1-enyl]-4,5-dihydro-3h-pyridin-1-ium-3-carboxylate
Molecular Mass 491.536 g·mol−1
Heat of Formation -519.0 ± 16.7 kJ·mol−1
Dipole Moment 12.04 ± 1.08 D
Volume 582.04 Å 3
Surface Area 440.57 Å 2
HOMO Energy -8.89 ± 0.55 eV
LUMO Energy 2.33 ± eV
Point Group Symmetry C1
Synonyms
  • (4s)-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylic acid o3-[(3s)-1-(benzyl)pyrrolidin-3-yl] o5-methyl ester
  • (4s)-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylic acid o5-methyl o3-[(3s)-1-(phenylmethyl)-3-pyrrolidinyl] ester
  • o5-methyl o3-[(3s)-1-(phenylmethyl)pyrrolidin-3-yl] (4s)-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate
InChIKey VXMOONUMYLCFJD-DHLKQENFSA-N
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