Geometry & MOs

Info

ID:	228860
PubChem CID:	87565991
Reduced:	SN5O7H15C19 (1)
Stoich.:	AB5C7D15E19 (1)
Weight, g/mol:	362.014555
ΔH_f, kcal/mol:	-108.0
Dipole, Da:	5.31
IP(EA), eV:	-8.3(-2.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-tert-butylcyclopenta-1,3-diene;cyclopenta-1,3-diene;methylidenezirconium(2+);dihydrochloride

Drug info:

PubChemData

Smile

CS(=O)(=O)ONC1=NC=NC2=C1NC(=C(N2)C3=CC(=O)C(=O)C=C3)C4=CC(=C(C=C4)O)O

DOS

IR

Vibrations