Geometry & MOs

Info

ID:	50191
PubChem CID:	12012702
Reduced:	OSeC13H18 (1)
Stoich.:	ABC13D18 (1)
Weight, g/mol:	205.056135
ΔH_f, kcal/mol:	-42.69
Dipole, Da:	3.5
IP(EA), eV:	-8.69(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-benzyl-5-methylsulfanyl-1,2-oxazole

Drug info:

PubChemData

Smile

CCCCCC(=O)[Se]C1=CC=C(C=C1)C

DOS

IR

Vibrations