Geometry & MOs

Info

ID:	60155
PubChem CID:	26675798
Reduced:	NO3H13C16 (1)
Stoich.:	AB3C13D16 (1)
Weight, g/mol:	327.090686
ΔH_f, kcal/mol:	-40.96
Dipole, Da:	3.81
IP(EA), eV:	-9.37(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methoxy]benzoate

Drug info:

PubChemData

Smile

COC(=O)C1=CC(=CC=C1)OCC2=CC=CC=C2C#N

DOS

IR

Vibrations