Chloromethyl (16Xi,21α)-21-Hydroxyajmalan-17-Carboxylate

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Properties Simple | Detailed

Formula C22H27ClN2O3
IUPAC Name chloromethyl (16xi,21alpha)-21-hydroxyajmalan-17-carboxylate
Molecular Mass 402.914 g·mol−1
Heat of Formation -435.4 ± 16.7 kJ·mol−1
Dipole Moment 3.89 ± 1.08 D
Volume 457.81 Å 3
Surface Area 362.08 Å 2
HOMO Energy -8.28 ± 0.55 eV
LUMO Energy 3.31 ± eV
Point Group Symmetry C1
InChIKey RBXRLORHKVPADF-NBTWTBNSSA-N
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Elements H C N O Cl