N-Allyl-3-Chloro-N-Cyclopentyl-5-(3-{[(Diaminomethylene)Amino]Oxy}Propoxy)Benzamide

Molecule SVG Image

Properties Simple | Detailed

Formula C19H27ClN4O3+
IUPAC Name n-allyl-3-chloro-n-cyclopentyl-5-(3-guanidinooxypropoxy)benzamide
Molecular Mass 394.896 g·mol−1
Heat of Formation -258.8 ± 16.7 kJ·mol−1
Dipole Moment 5.91 ± 1.08 D
Volume 480.2 Å 3
Surface Area 420.07 Å 2
HOMO Energy -9.39 ± 0.55 eV
LUMO Energy 2.48 ± eV
Point Group Symmetry C1
Synonyms
  • 14a
  • 3-chloro-n-cyclopentyl-5-[3-(diaminomethylideneamino)oxypropoxy]-n-prop-2-enyl-benzamide
  • n-allyl-3-chloro-n-cyclopentyl-5-(3-guanidinooxypropoxy)benzamide
  • n-allyl-5-amidinoaminooxy-propyloxy-3-chloro-n-cyclopentylbenzamide
InChIKey XWIUMAPBZWNFNV-UHFFFAOYSA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C Cl O N