Geometry & MOs

Info

ID:	311981
PubChem CID:	126600264
Reduced:	ON4F6H14C20 (1)
Stoich.:	AB4C6D14E20 (1)
Weight, g/mol:	461.081025
ΔH_f, kcal/mol:	-241.69
Dipole, Da:	1.85
IP(EA), eV:	-9.13(-1.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(2S,5S)-5-[(4-nitrophenoxy)methyl]-2-(trifluoromethyl)-1,3-oxazolidin-3-yl]-2-(trifluoromethyl)benzonitrile

Drug info:

PubChemData

Smile

C1C(OC(N1C2=CC(=C(C=C2)C#N)C(F)(F)F)C(F)(F)F)CNC3=CC=C(C=C3)C#N

DOS

IR

Vibrations