(3S)-1-[[4-(1,3-Benzodioxol-5-Ylmethyl)Piperazin-1-Yl]Methyl]-3-Hydroxy-Indolin-2-One
Properties
Property | Value |
---|---|
Formula | C21H23N3O4 |
IUPAC Name | (3s)-1-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]methyl]-3-hydroxy-indolin-2-one |
Molecular Mass | 381.425 g·mol−1 |
Heat of Formation | -317.0 ± 16.7 kJ·mol−1 |
Dipole Moment | 3.25 ± 1.08 D |
Volume | 443.61 Å 3 |
Surface Area | 377.52 Å 2 |
HOMO Energy | -8.77 ± 0.55 eV |
LUMO Energy | 2.81 ± eV |
Point Group Symmetry | C1 |
InChIKey | DHRNQNFHGGYALM-FQEVSTJZSA-N |
QR Code | Generate QR Code |
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Elements | H C O N |