Methyl (19α)-19-Methyl-16,17,20,21-Tetradehydro-18-Oxayohimban-16-Carboxylate
Properties
Property | Value |
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Formula | C21H22N2O3 |
IUPAC Name | methyl (1s,16s,20s)-16-methyl-17-oxa-3,13-diazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-2(10),4,6,8,14,18-hexaene-19-carboxylate |
Molecular Mass | 350.411 g·mol−1 |
Heat of Formation | -259.9 ± 16.7 kJ·mol−1 |
Dipole Moment | 3.01 ± 1.08 D |
Volume | 412.31 Å 3 |
Surface Area | 355.15 Å 2 |
HOMO Energy | -8.29 ± 0.55 eV |
LUMO Energy | 2.91 ± eV |
Point Group Symmetry | C1 |
Synonyms |
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CAS Number(s) |
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InChIKey | BXTHVTLKWJZGAA-ODYMNIRHSA-N |
QR Code | Generate QR Code |
Links | PubChem ChemSpider |
DOI | |
Downloads | Get JSON data Get MOL2 data Get SVG Image |
Elements | H C O N |