2,2',2''-[12-(4-Nitrobenzyl)-1,4,7,10-Tetraazacyclotridecane-1,4,7-Triyl]Triacetic Acid
Properties
Property | Value |
---|---|
Formula | C22H33N5O8 |
IUPAC Name | 2-[(12s)-7,10-bis(carboxymethyl)-12-[(4-nitrophenyl)methyl]-1,4,7,10-tetrazacyclotridec-4-yl]acetic acid |
Molecular Mass | 495.526 g·mol−1 |
Heat of Formation | -957.0 ± 16.7 kJ·mol−1 |
Dipole Moment | 7.16 ± 1.08 D |
Volume | 593.74 Å 3 |
Surface Area | 460.06 Å 2 |
HOMO Energy | -8.85 ± 0.55 eV |
LUMO Energy | -1.30 ± eV |
Point Group Symmetry | C1 |
InChIKey | FURLMJAWKCZJLD-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 |