Geometry & MOs

Info

ID:	250329
PubChem CID:	103095720
Reduced:	ClON2H15C16 (1)
Stoich.:	ABC2D15E16 (1)
Weight, g/mol:	294.113506
ΔH_f, kcal/mol:	41.71
Dipole, Da:	3.56
IP(EA), eV:	-9.27(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(1-chlorobutyl)-5-(3-propan-2-yloxyphenyl)-1,2,4-oxadiazole

Drug info:

PubChemData

Smile

CCCC(C1=NOC(=N1)C2=CC=CC3=CC=CC=C32)Cl

DOS

IR

Vibrations