1-(4-Butylbenzyl)Isoquinoline

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Properties Simple | Detailed

Formula C20H21N
IUPAC Name 1-[(4-butylphenyl)methyl]isoquinoline
Molecular Mass 275.387 g·mol−1
Heat of Formation 184.6 ± 16.7 kJ·mol−1
Dipole Moment 2.16 ± 1.08 D
Volume 362.89 Å 3
Surface Area 333.02 Å 2
HOMO Energy -9.01 ± 0.55 eV
LUMO Energy -0.77 ± eV
Point Group Symmetry Cs
InChIKey WCAVKYHIWOXXMB-UHFFFAOYSA-N
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Elements H C N