Geometry & MOs

Info

ID:	250324
PubChem CID:	103095704
Reduced:	BrClON2C12H12 (1)
Stoich.:	ABCD2E12F12 (1)
Weight, g/mol:	295.072369
ΔH_f, kcal/mol:	23.25
Dipole, Da:	4.77
IP(EA), eV:	-9.79(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(1-chlorobutyl)-5-(2-methyl-6-nitrophenyl)-1,2,4-oxadiazole

Drug info:

PubChemData

Smile

CCC(C1=NOC(=N1)C2=C(C=C(C=C2)C)Br)Cl

DOS

IR

Vibrations