(1S,3Ar,8As)-1,3A,8-Trimethyl-1-Oxido-1,2,3,3A,8,8A-Hexahydropyrrolo[2,3-B]Indol-5-Yl (2-Ethylphenyl)Carbamate
Properties
Property | Value |
---|---|
Formula | C22H27N3O3 |
IUPAC Name | [(3s,3as,4s,8br)-3,4,8b-trimethyl-3-oxido-2,3a-dihydro-1h-pyrrolo[2,3-b]indol-3-ium-7-yl] n-(2-ethylphenyl)carbamate |
Molecular Mass | 381.468 g·mol−1 |
Heat of Formation | -53.8 ± 16.7 kJ·mol−1 |
Dipole Moment | 3.71 ± 1.08 D |
Volume | 463.65 Å 3 |
Surface Area | 398.67 Å 2 |
HOMO Energy | -8.42 ± 0.55 eV |
LUMO Energy | 2.92 ± eV |
Point Group Symmetry | C1 |
InChIKey | MVHRCJQCKYPDRL-HOKHCIIBSA-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 |