Geometry & MOs

Info

ID:	60142
PubChem CID:	26675766
Reduced:	NO3H15C17 (1)
Stoich.:	AB3C15D17 (1)
Weight, g/mol:	341.106336
ΔH_f, kcal/mol:	-36.54
Dipole, Da:	3.41
IP(EA), eV:	-8.62(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methoxy]-5-methoxyphenyl]ethanone

Drug info:

PubChemData

Smile

CC(=O)C1=C(C=CC(=C1)OC)OCC2=CC=CC=C2C#N

DOS

IR

Vibrations