Geometry & MOs

Info

ID:	389298
PubChem CID:	134992079
Reduced:	ClRuN3O3H42C52 (1)
Stoich.:	ABC3D3E42F52 (1)
Weight, g/mol:	206.070308
ΔH_f, kcal/mol:	163.23
Dipole, Da:	6.7
IP(EA), eV:	-8.24(-2.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

boranuide;piperazine;zirconium(2+)

Drug info:

PubChemData

Smile

C1CCC([C@@H](C1)N/C=C\2/C=CC=C(C2=O)C3=C(C=CC4=CC=CC=C43)C5=CC=CC=C5)N/C=C\6/C=CC=C(C6=O)C7=C(C=CC8=CC=CC=C87)C9=CC=CC=C9.[N-]=O.Cl[Ru+]

DOS

IR

Vibrations