7-Chloro-3-Oxo-8-[(4-Pyridinylmethyl)Amino]-11,17-Dioxa-2,4,20,22-Tetraazatricyclo[16.3.1.0~5,10~]Docosa-1(22),5,7,9,18,20-Hexaene-19-Carbonitrile

Molecule SVG Image

Properties Simple | Detailed

Formula C23H22ClN7O3
IUPAC Name 7-chloro-3-oxo-8-[(4-pyridinylmethyl)amino]-11,17-dioxa-2,4,20,22-tetraazatricyclo[16.3.1.0 5,10 ]docosa-1(22),5,7,9,18,20-hexaene-19-carbonitrile
Molecular Mass 479.919 g·mol−1
Heat of Formation -20.0 ± 16.7 kJ·mol−1
Dipole Moment 7.10 ± 1.08 D
Volume 535.37 Å 3
Surface Area 460.88 Å 2
HOMO Energy -8.36 ± 0.55 eV
LUMO Energy 1.70 ± eV
Point Group Symmetry C1
InChIKey ZUEAHWHCYOLVEP-UHFFFAOYSA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C Cl O N