Ro64-6198

Molecule SVG Image

Properties Simple | Detailed

Formula C26H31N3O
IUPAC Name (1s)-8-[(1s,3as)-2,3,3a,4,5,6-hexahydro-1h-phenalen-1-yl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
Molecular Mass 401.544 g·mol−1
Heat of Formation 11.0 ± 16.7 kJ·mol−1
Dipole Moment 2.05 ± 1.08 D
Volume 495.95 Å 3
Surface Area 381.99 Å 2
HOMO Energy -8.45 ± 0.55 eV
LUMO Energy 0.24 ± eV
Point Group Symmetry C1
Synonyms
  • (
  • )
  • ,
  • -
  • .
  • 1
  • 2
  • 3
  • 4
  • 5
  • 6
  • 8
  • [
  • ]
  • a
  • c
  • d
  • e
  • h
  • i
  • l
  • n
  • o
  • p
  • r
  • s
  • t
  • x
  • y
  • z
InChIKey JLFMYEAXZNPWBK-REWPJTCUSA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O N