Geometry & MOs

Info

ID:	146861
PubChem CID:	53762992
Reduced:	OSiF3C4H6 (3)
Stoich.:	ABC3D4E6 (3)
Weight, g/mol:	490.132726
ΔH_f, kcal/mol:	-761.52
Dipole, Da:	4.58
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.754387
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[[(2R)-1-[3,5-bis(trifluoromethyl)benzoyl]piperazin-2-yl]methyl]-2-hydroxybenzoate

Drug info:

PubChemData

Smile

C(CC(F)(F)F)C[Si]1O[Si]O[Si](O1)(CCCC(F)(F)F)CCCC(F)(F)F

DOS

IR

Vibrations