Geometry & MOs

Info

ID:	388233
PubChem CID:	134988571
Reduced:	NC11H11 (1)
Stoich.:	AB11C11 (1)
Weight, g/mol:	240.118401
ΔH_f, kcal/mol:	60.4
Dipole, Da:	3.81
IP(EA), eV:	-9.69(0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methylbut-2-enyl 4,5-dimethyl-3,6-dihydro-2H-thiopyran-2-carboxylate

Drug info:

PubChemData

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C[C@H]1[C@H]([C@@H]1C2=CC=CC=C2)C#N

DOS

IR

Vibrations