Geometry & MOs

Info

ID:	226591
PubChem CID:	87544284
Reduced:	F3N4O6H28C32 (1)
Stoich.:	A3B4C6D28E32 (1)
Weight, g/mol:	235.925864
ΔH_f, kcal/mol:	-173.61
Dipole, Da:	6.53
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.784896
Charge, e:	0

Chem-info

IUPAC name:

2-hydroxybutanedioic acid;ruthenium

Drug info:

PubChemData

Smile

C1CN(CCN1CC(C2=CN(C3=C2C=CC(=C3)[N+](=O)[O-])CC4=CC=CC=C4)(C(F)(F)F)O)C(=O)C5=CC=C(C=C5)/C=C/C(=O)[O-]

DOS

IR

Vibrations