N-(4-Cyanobenzyl)Thioformamide

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Properties Simple | Detailed

Formula C9H8N2S
IUPAC Name n-[(4-cyanophenyl)methyl]thioformamide
Molecular Mass 176.238 g·mol−1
Heat of Formation 318.9 ± 16.7 kJ·mol−1
Dipole Moment 2.18 ± 1.08 D
Volume 218.61 Å 3
Surface Area 215.95 Å 2
HOMO Energy -8.62 ± 0.55 eV
LUMO Energy -1.36 ± eV
Point Group Symmetry Cs
InChIKey YVOLFTYAZWTPDD-UHFFFAOYSA-N
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Elements H C S N