11-({(2R)-2-[(Diethylamino)Methyl]-1-Piperidinyl}Acetyl)-5,11-Dihydro-6H-Pyrido[2,3-B][1,4]Benzodiazepin-6-One
Properties
Property | Value |
---|---|
Formula | C24H31N5O2 |
IUPAC Name | 11-[2-[(1s,2r)-2-(diethylaminomethyl)-1-piperidyl]acetyl]-5h-pyrido[2,3-b][1,4]benzodiazepin-1-ium-4a-id-6-one |
Molecular Mass | 421.535 g·mol−1 |
Heat of Formation | -93.7 ± 16.7 kJ·mol−1 |
Dipole Moment | 5.01 ± 1.08 D |
Volume | 519.81 Å 3 |
Surface Area | 414.01 Å 2 |
HOMO Energy | -8.45 ± 0.55 eV |
LUMO Energy | 2.15 ± eV |
Point Group Symmetry | C1 |
InChIKey | UBRKDAVQCKZSPO-GOSISDBHSA-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 |