Geometry & MOs

Info

ID:	400231
PubChem CID:	135046763
Reduced:	O3C13H20 (1)
Stoich.:	A3B13C20 (1)
Weight, g/mol:	1008.438572
ΔH_f, kcal/mol:	-128.25
Dipole, Da:	3.28
IP(EA), eV:	-9.45(0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4,5-diethylocta-3,5-diene;2,3,5,6-tetraphenylphenol;titanium(2+)

Drug info:

PubChemData

Smile

CCC(=C=CC)CCC(=O)CC(=O)OCC

DOS

IR

Vibrations