1-[2-(Dimethylamino)Ethyl]-3-{[(2R,4As,5R,10Bs)-5-Phenyl-9-(Trifluoromethyl)-3,4,4A,5,6,10B-Hexahydro-2H-Pyrano[3,2-C]Quinolin-2-Yl]Methyl}Urea

Molecule SVG Image

Properties Simple | Detailed

Formula C25H31F3N4O2
IUPAC Name 1-[[(2r,4as,5r,10bs)-5-phenyl-9-(trifluoromethyl)-3,4,4a,5,6,10b-hexahydro-2h-pyrano[3,2-c]quinolin-2-yl]methyl]-3-[2-(dimethylamino)ethyl]urea
Molecular Mass 476.534 g·mol−1
Heat of Formation -886.8 ± 16.7 kJ·mol−1
Dipole Moment 6.95 ± 1.08 D
Volume 563.68 Å 3
Surface Area 479.2 Å 2
HOMO Energy -8.75 ± 0.55 eV
LUMO Energy 2.65 ± eV
Point Group Symmetry C1
Synonyms
  • (
  • )
  • ,
  • -
  • 0
  • 1
  • 2
  • 3
  • 4
  • 5
  • 6
  • 9
  • [
  • ]
  • a
  • b
  • c
  • d
  • e
  • f
  • h
  • i
  • l
  • m
  • n
  • o
  • p
  • q
  • r
  • s
  • t
  • u
  • x
  • y
InChIKey MARIUIDCPUZLKZ-FUKQBSRTSA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C F O N