3-(1-Pyrrolidinyl)-1(2H)-Isoquinolinone

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Properties Simple | Detailed

Formula C13H14N2O
IUPAC Name 3-pyrrolidin-1-ylisoquinolin-1-one
Molecular Mass 214.263 g·mol−1
Heat of Formation -44.5 ± 16.7 kJ·mol−1
Dipole Moment 5.86 ± 1.08 D
Volume 256.84 Å 3
Surface Area 243.17 Å 2
HOMO Energy -8.13 ± 0.55 eV
LUMO Energy 2.84 ± eV
Point Group Symmetry C1
Synonyms
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InChIKey YGHVWKFNYLLGEJ-UHFFFAOYSA-N
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