Geometry & MOs

Info

ID:	297480
PubChem CID:	117618713
Reduced:	NO2F3C11H14 (1)
Stoich.:	AB2C3D11E14 (1)
Weight, g/mol:	235.076392
ΔH_f, kcal/mol:	-245.92
Dipole, Da:	5.74
IP(EA), eV:	-10.26(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(3-chloro-4,5-dimethylphenyl)-3,5-dimethyl-1,2-oxazole

Drug info:

PubChemData

Smile

C[C@](C1=CC=CC=N1)([C@H](CCC(F)(F)F)O)O

DOS

IR

Vibrations