Formula |
C22H25N3O4 |
IUPAC Name |
1-[1-[(2r)-2-[(3s)-2,3-dihydro-1,4-benzodioxin-3-yl]-2-hydroxy-ethyl]-4-piperidyl]benzimidazole-1,3-diium-2-one |
Molecular Mass |
395.452 g·mol−1 |
Heat of Formation |
-440.0 ± 16.7 kJ·mol−1 |
Dipole Moment |
4.72 ± 1.08 D |
Volume |
462.04 Å 3 |
Surface Area |
395.14 Å 2 |
HOMO Energy |
-8.66 ± 0.55 eV |
LUMO Energy |
2.73 ± eV |
Point Group Symmetry |
C1
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Synonyms
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- 3-[1-[(2r)-2-[(2s)-2,3-dihydro-1,4-benzodioxin-2-yl]-2-hydroxy-ethyl]-4-piperidyl]-1h-benzimidazol-2-one
- 3-[1-[(2r)-2-[(2s)-2,3-dihydro-1,4-benzodioxin-2-yl]-2-hydroxy-ethyl]piperidin-4-yl]-1h-benzimidazol-2-one
- 3-[1-[(2r)-2-[(2s)-2,3-dihydro-1,4-benzodioxin-2-yl]-2-hydroxyethyl]-4-piperidinyl]-1h-benzimidazol-2-one
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InChIKey |
ZBPOBVZNVTZLGP-NQIIRXRSSA-N |
QR Code |
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Links |
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DOI |
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Elements |
H
C
O
N
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