Geometry & MOs

Info

ID:	126735
PubChem CID:	50975704
Reduced:	NC2H2 (8)
Stoich.:	AB2C2 (8)
Weight, g/mol:	250.111756
ΔH_f, kcal/mol:	157.71
Dipole, Da:	1.3
IP(EA), eV:	-8.77(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(2-fluorophenyl)methyl]-5-(1-methoxypropyl)-1,2,4-oxadiazole

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=C(N(C=N2)CCCC3=NNN=N3)C4=NC=CN4

DOS

IR

Vibrations