Geometry & MOs

Info

ID:	401391
PubChem CID:	135051137
Reduced:	PRuN2O2F6H11C13 (1)
Stoich.:	ABC2D2E6F11G13 (1)
Weight, g/mol:	295.022305
ΔH_f, kcal/mol:	-216.11
Dipole, Da:	27.85
IP(EA), eV:	-9.85(-4.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(2-chloroacetyl)-3-methoxyphenyl]-2,2,2-trifluoroacetamide

Drug info:

PubChemData

Smile

C1=C[CH]C=C1.C1=CC2=C(C=CN2)C(=C1)[N+](=O)[O-].F[P-](F)(F)(F)(F)F.[Ru+]

DOS

IR

Vibrations