Geometry & MOs

Info

ID:	293347
PubChem CID:	117385201
Reduced:	FNO4C12H12 (1)
Stoich.:	ABC4D12E12 (1)
Weight, g/mol:	253.086269
ΔH_f, kcal/mol:	-155.45
Dipole, Da:	2.38
IP(EA), eV:	-9.02(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]-2-fluoro-6-methoxy-5-methylphenol

Drug info:

PubChemData

Smile

COC1=C(C=C2C(=C1CN=C=O)OCCCO2)F

DOS

IR

Vibrations