Geometry & MOs

Info

ID:	180979
PubChem CID:	76713161
Reduced:	O2F3N5H16C18 (1)
Stoich.:	A2B3C5D16E18 (1)
Weight, g/mol:	432.120938
ΔH_f, kcal/mol:	-140.36
Dipole, Da:	5.41
IP(EA), eV:	-9.88(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[5-fluoro-2-[1-[4-methyl-5-[2-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]ethoxy]phenyl]-1,2-oxazole

Drug info:

PubChemData

Smile

CC(C1=NN=C(N1C)C2=CC=CC=C2C(F)(F)F)OC3=CC=CC(=N3)C(=O)N

DOS

IR

Vibrations