[(9S,13Ar,13Bs)-13A-[(Oxidoamino)Methyl]-8,13B-Dihydro-6H-Dipyrido[3,1-A:2',1'-D][1,3,6]Oxadiazepin-3-Yl]-Phenyl-Methanone

Molecule SVG Image

Properties Simple | Detailed

Formula C20H19N3O3
IUPAC Name [(9s,13ar,13bs)-13a-[(oxidoamino)methyl]-8,13b-dihydro-6h-dipyrido[3,1-a:2',1'-d][1,3,6]oxadiazepin-3-yl]-phenyl-methanone
Molecular Mass 349.383 g·mol−1
Heat of Formation 111.2 ± 16.7 kJ·mol−1
Dipole Moment 5.36 ± 1.08 D
Volume 405.76 Å 3
Surface Area 336.71 Å 2
HOMO Energy -8.39 ± 0.55 eV
LUMO Energy 2.59 ± eV
Point Group Symmetry C1
InChIKey GMRQBVWCACYOHL-CPNJWEJPSA-O
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O N