Geometry & MOs

Info

ID:	311980
PubChem CID:	126600263
Reduced:	NOF2H5C7 (3)
Stoich.:	ABC2D5E7 (3)
Weight, g/mol:	440.10718
ΔH_f, kcal/mol:	-327.26
Dipole, Da:	4.22
IP(EA), eV:	-9.72(-1.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[5-[(4-cyanoanilino)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@H](C(F)(F)F)O)COC3=CC=C(C=C3)C#N

DOS

IR

Vibrations