Geometry & MOs

Info

ID:	319637
PubChem CID:	126656882
Reduced:	FN2O2C13H13 (1)
Stoich.:	AB2C2D13E13 (1)
Weight, g/mol:	220.064806
ΔH_f, kcal/mol:	-49.24
Dipole, Da:	2.6
IP(EA), eV:	-10.18(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-fluoro-2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]ethanone

Drug info:

PubChemData

Smile

CC1=NOC(=N1)C2=C(C=C(C=C2)F)C(=O)C(C)C

DOS

IR

Vibrations