Geometry & MOs

Info

ID:	228973
PubChem CID:	87566573
Reduced:	Cl2F3N3O3C25H26 (1)
Stoich.:	A2B3C3D3E25F26 (1)
Weight, g/mol:	347.998905
ΔH_f, kcal/mol:	-263.24
Dipole, Da:	4.1
IP(EA), eV:	-9.47(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

cyclopenta-1,3-diene;methylidenezirconium(2+);2,3,5-trimethylcyclopenta-1,3-diene;dihydrochloride

Drug info:

PubChemData

Smile

CCC(CC)(C1CC(C1)N2C3=CC(=CC(=C3C(C2=O)(C4=C(C=C(C=C4)Cl)Cl)O)C(F)(F)F)C(=O)N)N

DOS

IR

Vibrations