Geometry & MOs

Info

ID:	259344
PubChem CID:	103164356
Reduced:	O2N3C16H27 (1)
Stoich.:	A2B3C16D27 (1)
Weight, g/mol:	186.055991
ΔH_f, kcal/mol:	-70.59
Dipole, Da:	3.89
IP(EA), eV:	-9.07(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(chloromethyl)-5-(cyclobutylmethyl)-1,2,4-oxadiazole

Drug info:

PubChemData

Smile

CCNC(CC1CC(C1)OCC)CC2=CC(=NC=N2)OC

DOS

IR

Vibrations