Geometry & MOs

Info

ID:	426947
PubChem CID:	135154687
Reduced:	OCl2N4H16C19 (1)
Stoich.:	AB2C4D16E19 (1)
Weight, g/mol:	450.173054
ΔH_f, kcal/mol:	-12.82
Dipole, Da:	3.42
IP(EA), eV:	-9.12(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2,6-difluoro-4-[4-(4-propylcyclohexyl)phenyl]phenyl]-5-(trifluoromethyl)-1,2,4-oxadiazole

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C(=O)N(C(=N2)C3=CC=C(C=C3)N)C4=CN=CC=C4.Cl.Cl

DOS

IR

Vibrations