Geometry & MOs

Info

ID:	250355
PubChem CID:	103095946
Reduced:	ClN2O2C8H13 (1)
Stoich.:	AB2C2D8E13 (1)
Weight, g/mol:	261.06689
ΔH_f, kcal/mol:	-39.19
Dipole, Da:	3.65
IP(EA), eV:	-10.52(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[3-(1-chlorobutyl)-1,2,4-oxadiazol-5-yl]benzonitrile

Drug info:

PubChemData

Smile

CCCC(C1=NOC(=N1)COC)Cl

DOS

IR

Vibrations