Geometry & MOs

Info

ID:	327748
PubChem CID:	126690957
Reduced:	O3C11H14 (1)
Stoich.:	A3B11C14 (1)
Weight, g/mol:	465.148711
ΔH_f, kcal/mol:	-110.07
Dipole, Da:	4.54
IP(EA), eV:	-9.69(0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4,4,4-trifluoro-1-[4-[[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]methyl]piperazin-1-yl]-3-(trifluoromethyl)butan-1-one

Drug info:

PubChemData

Smile

C=COC1CC2C[C@H]1C3C2C(=O)OC3

DOS

IR

Vibrations