N-(4-{2-[(3As,9Br)-8-Cyano-1,3A,4,9B-Tetrahydrochromeno[3,4-C]Pyrrol-2(3H)-Yl]Ethyl}Phenyl)Acetamide

Molecule SVG Image

Properties Simple | Detailed

Formula C22H23N3O2
IUPAC Name n-[4-[2-[(2s,3as,9br)-8-cyano-3,3a,4,9b-tetrahydro-1h-chromeno[3,4-c]pyrrol-2-yl]ethyl]phenyl]acetamide
Molecular Mass 361.437 g·mol−1
Heat of Formation -40.8 ± 16.7 kJ·mol−1
Dipole Moment 8.29 ± 1.08 D
Volume 440.42 Å 3
Surface Area 397.67 Å 2
HOMO Energy -8.76 ± 0.55 eV
LUMO Energy -0.58 ± eV
Point Group Symmetry C1
Synonyms
  • n-[4-[2-[(3as,9br)-8-cyano-3,3a,4,9b-tetrahydro-1h-chromeno[3,4-c]pyrrol-2-yl]ethyl]phenyl]acetamide
  • n-[4-[2-[(3as,9br)-8-cyano-3,3a,4,9b-tetrahydro-1h-chromeno[3,4-c]pyrrol-2-yl]ethyl]phenyl]ethanamide
InChIKey ZDZWIQDJFWTDAM-GHTZIAJQSA-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