Geometry & MOs

Info

ID:	250322
PubChem CID:	103095672
Reduced:	ClOF2N2H9C11 (1)
Stoich.:	ABC2D2E9F11 (1)
Weight, g/mol:	258.149891
ΔH_f, kcal/mol:	-62.28
Dipole, Da:	2.98
IP(EA), eV:	-10.26(-1.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(1-chloropropyl)-5-(2,4,4-trimethylpentyl)-1,2,4-oxadiazole

Drug info:

PubChemData

Smile

CCC(C1=NOC(=N1)C2=C(C=CC(=C2)F)F)Cl

DOS

IR

Vibrations