Geometry & MOs

Info

ID:	202553
PubChem CID:	79686775
Reduced:	N2F3H11C12 (1)
Stoich.:	A2B3C11D12 (1)
Weight, g/mol:	256.045962
ΔH_f, kcal/mol:	-101.4
Dipole, Da:	9.02
IP(EA), eV:	-8.97(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2-oxo-1,3-oxazolidin-3-yl)-2-(trifluoromethyl)benzonitrile

Drug info:

PubChemData

Smile

CC1CCN1C2=CC(=C(C=C2)C#N)C(F)(F)F

DOS

IR

Vibrations