(2S,5S)-5-(Hydroxymethyl)-2-Isopropyl-1-Methyl-9-Octyl-1,2,4,5,6,8-Hexahydro-3H-[1,4]Diazonino[7,6,5-Cd]Indol-3-One
Properties
Property | Value |
---|---|
Formula | C25H39N3O2 |
IUPAC Name | (2s,5s)-5-(hydroxymethyl)-2-isopropyl-1-methyl-9-octyl-1,2,4,5,6,8-hexahydro-3h-[1,4]diazonino[7,6,5-cd]indol-3-one |
Molecular Mass | 413.596 g·mol−1 |
Heat of Formation | -415.6 ± 16.7 kJ·mol−1 |
Dipole Moment | 6.42 ± 1.08 D |
Volume | 546.11 Å 3 |
Surface Area | 457.92 Å 2 |
HOMO Energy | -8.43 ± 0.55 eV |
LUMO Energy | -0.26 ± eV |
Point Group Symmetry | C1 |
Synonyms |
|
CAS Number(s) |
|
InChIKey | SUQYTYOVPXAUGB-RDPSFJRHSA-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 |