Geometry & MOs

Info

ID:	376859
PubChem CID:	134222888
Reduced:	OPF4H24C28 (1)
Stoich.:	ABC4D24E28 (1)
Weight, g/mol:	370.323566
ΔH_f, kcal/mol:	-132.49
Dipole, Da:	5.37
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.980867
Charge, e:	0

Chem-info

IUPAC name:

1,2,3,4-tetramethyl-5-[[2-methyl-4-[6-[(2-methylpropan-2-yl)oxy]hexyl]cyclopenta-2,4-dien-1-yl]methyl]cyclopenta-1,3-diene

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)[P+](CC2=CC(=C(C(=C2)F)F)F)(C3=CC=CC=C3)C4=CC=C(C=C4)OCCC[18F]

DOS

IR

Vibrations