Geometry & MOs

Info

ID:	60086
PubChem CID:	26675664
Reduced:	FNO2H14C17 (1)
Stoich.:	ABC2D14E17 (1)
Weight, g/mol:	343.102
ΔH_f, kcal/mol:	-47.92
Dipole, Da:	6.53
IP(EA), eV:	-9.37(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[5-fluoro-2-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methoxy]phenyl]propan-1-one

Drug info:

PubChemData

Smile

CCC(=O)C1=C(C=CC(=C1)F)OCC2=CC=CC=C2C#N

DOS

IR

Vibrations