N-{4-[(3Ar,9Bs)-8-Cyano-1,3A,4,9B-Tetrahydrochromeno[3,4-C]Pyrrol-2(3H)-Yl]Butyl}-4-Biphenylcarboxamide

Molecule SVG Image

Properties Simple | Detailed

Formula C29H29N3O2
IUPAC Name n-[4-[(2r,3ar,9bs)-8-cyano-3,3a,4,9b-tetrahydro-1h-chromeno[3,4-c]pyrrol-2-yl]butyl]-4-[(e)-1-ethylprop-1-enyl]benzamide
Molecular Mass 451.559 g·mol−1
Heat of Formation 74.2 ± 16.7 kJ·mol−1
Dipole Moment 7.58 ± 1.08 D
Volume 561.11 Å 3
Surface Area 499.55 Å 2
HOMO Energy -9.18 ± 0.55 eV
LUMO Energy 2.38 ± eV
Point Group Symmetry C1
Synonyms
  • n-[4-[(3ar,9bs)-8-cyano-3,3a,4,9b-tetrahydro-1h-chromeno[3,4-c]pyrrol-2-yl]butyl]-4-phenyl-benzamide
  • n-[4-[(3ar,9bs)-8-cyano-3,3a,4,9b-tetrahydro-1h-chromeno[3,4-c]pyrrol-2-yl]butyl]-4-phenylbenzamide
  • pdsp2_001397
InChIKey QQJHRQZZCNYDMX-VPUSJEBWSA-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