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

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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 -303.4 ± 16.7 kJ·mol−1
Dipole Moment 3.28 ± 1.08 D
Volume 479.64 Å 3
Surface Area 373.52 Å 2
HOMO Energy -9.04 ± 0.55 eV
LUMO Energy 2.43 ± 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
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Elements H C N O Cl