1-[(S)-(4-Chlorophenyl)(Phenyl)Methyl]-4-Methyl-1,4-Diazepane

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Properties Simple | Detailed

Formula C19H23ClN2
IUPAC Name (1s,4s)-1-[(s)-(4-chlorophenyl)-phenyl-methyl]-4-methyl-1,4-diazepane
Molecular Mass 314.852 g·mol−1
Heat of Formation 181.7 ± 16.7 kJ·mol−1
Dipole Moment 3.78 ± 1.08 D
Volume 393.01 Å 3
Surface Area 335.34 Å 2
HOMO Energy -8.86 ± 0.55 eV
LUMO Energy -0.18 ± eV
Point Group Symmetry C1
Synonyms
  • 1-[(s)-(4-chlorophenyl)-phenyl-methyl]-4-methyl-1,4-diazepane
  • 1-[(s)-(4-chlorophenyl)-phenylmethyl]-4-methyl-1,4-diazepane
InChIKey WEUCDJCFJHYFRL-IBGZPJMESA-N
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Elements H C N Cl