3-(Azepan-1-Yl)-1-(3-Nitrophenyl)Propan-1-One

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Properties Simple | Detailed

Formula C15H20N2O3
IUPAC Name 3-(azepan-1-yl)-1-(3-nitrophenyl)propan-1-one
Molecular Mass 276.331 g·mol−1
Heat of Formation -114.7 ± 16.7 kJ·mol−1
Dipole Moment 6.47 ± 1.08 D
Volume 338.52 Å 3
Surface Area 308.24 Å 2
HOMO Energy -8.84 ± 0.55 eV
LUMO Energy 1.47 ± eV
Point Group Symmetry C1
InChIKey JLAAKJZTTFBXJA-UHFFFAOYSA-N
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