Geometry & MOs

Info

ID:	250351
PubChem CID:	103095917
Reduced:	ClON2F5H8C12 (1)
Stoich.:	ABC2D5E8F12 (1)
Weight, g/mol:	381.96954
ΔH_f, kcal/mol:	-189.08
Dipole, Da:	2.22
IP(EA), eV:	-10.73(-2.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCC(C1=NOC(=N1)C2=C(C(=C(C(=C2F)F)F)F)F)Cl

DOS

IR

Vibrations