Geometry & MOs

Info

ID:	250347
PubChem CID:	103095908
Reduced:	ClON2C16H23 (1)
Stoich.:	ABC2D16E23 (1)
Weight, g/mol:	302.063362
ΔH_f, kcal/mol:	-34.44
Dipole, Da:	3.68
IP(EA), eV:	-10.54(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(1-chlorobutyl)-5-[3-(difluoromethoxy)phenyl]-1,2,4-oxadiazole

Drug info:

PubChemData

Smile

CCCC(C1=NOC(=N1)C23CC4CC(C2)CC(C4)C3)Cl

DOS

IR

Vibrations