Geometry & MOs

Info

ID:	231474
PubChem CID:	87573831
Reduced:	O7C18H26 (1)
Stoich.:	A7B18C26 (1)
Weight, g/mol:	428.97543
ΔH_f, kcal/mol:	-344.54
Dipole, Da:	7.57
IP(EA), eV:	-10.81(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

9-(3-propan-2-ylidenecyclopenta-1,4-dien-1-yl)-9H-fluorene;zirconium(3+);dichloride

Drug info:

PubChemData

Smile

CC1CCCC(C1C(=O)O)C(=O)OC(=O)C2CCCC(C2C(=O)O)C

DOS

IR

Vibrations