Geometry & MOs

Info

ID:	198624
PubChem CID:	79127171
Reduced:	ON3C15H17 (1)
Stoich.:	AB3C15D17 (1)
Weight, g/mol:	300.073262
ΔH_f, kcal/mol:	17.17
Dipole, Da:	2.81
IP(EA), eV:	-9.22(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-fluoro-2-[(2-phenyl-1,3-oxazol-4-yl)methylsulfanyl]aniline

Drug info:

PubChemData

Smile

C1CCC(CC1)(C#N)C(C2=CN3C=CC=CC3=N2)O

DOS

IR

Vibrations