Geometry & MOs

Info

ID:	226479
PubChem CID:	87457461
Reduced:	N2O5F6H30C32 (1)
Stoich.:	A2B5C6D30E32 (1)
Weight, g/mol:	255.959627
ΔH_f, kcal/mol:	-475.43
Dipole, Da:	6.53
IP(EA), eV:	-8.81(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	-2

Chem-info

IUPAC name:

cyclopenta-1,3-diene;hydride;zirconium(2+);chloride

Drug info:

PubChemData

Smile

CCOC(=O)CCN1C(C(C2=CC=CC=C2C1=O)C(=O)NCCC3=CC=C(C=C3)OC)C4=CC(=CC(=C4)C(F)(F)F)C(F)(F)F

DOS

IR

Vibrations