Geometry & MOs

Info

ID:	250344
PubChem CID:	103095869
Reduced:	ClF2N3O3H10C12 (1)
Stoich.:	AB2C3D3E10F12 (1)
Weight, g/mol:	286.068447
ΔH_f, kcal/mol:	-61.13
Dipole, Da:	2.14
IP(EA), eV:	-10.88(-2.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(1-chlorobutyl)-5-(2,6-difluoro-3-methylphenyl)-1,2,4-oxadiazole

Drug info:

PubChemData

Smile

CCCC(C1=NOC(=N1)C2=CC(=C(C=C2[N+](=O)[O-])F)F)Cl

DOS

IR

Vibrations