Geometry & MOs

Info

ID:	372187
PubChem CID:	131294213
Reduced:	OS2C10H18 (1)
Stoich.:	AB2C10D18 (1)
Weight, g/mol:	221.048821
ΔH_f, kcal/mol:	-68.83
Dipole, Da:	4.15
IP(EA), eV:	-8.35(0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(3-fluorophenyl)-4-methyl-1,3-oxazole-2-carboxylic acid

Drug info:

PubChemData

Smile

C1CC(CSC1)(C2CCSCC2)O

DOS

IR

Vibrations