Geometry & MOs

Info

ID:	124948
PubChem CID:	50905008
Reduced:	PRuO2N5F6H24C32 (1)
Stoich.:	ABC2D5E6F24G32 (1)
Weight, g/mol:	290.105528
ΔH_f, kcal/mol:	-174.61
Dipole, Da:	14.64
IP(EA), eV:	-8.22(-3.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3,5-dipyridin-2-ylbenzoate

Drug info:

PubChemData

Smile

CC#N.COC(=O)C1=CC(=[C-]C(=C1)C2=CC=CC=N2)C3=CC=CC=N3.C1=CC2=C(C3=C(C=CC=N3)C=C2)N=C1.F[P-](F)(F)(F)(F)F.[Ru+2]

DOS

IR

Vibrations