Geometry & MOs

Info

ID:	189589
PubChem CID:	77876883
Reduced:	CoO6C14H20 (1)
Stoich.:	AB6C14D20 (1)
Weight, g/mol:	392.256274
ΔH_f, kcal/mol:	-299.47
Dipole, Da:	16.35
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.909126
Charge, e:	0

Chem-info

IUPAC name:

[1-(3-cyclopentyl-1-hydroxyprop-1-enyl)-2-(oxan-2-yloxy)-2,3,4,5,6,6a-hexahydro-1H-pentalen-3a-yl] acetate

Drug info:

PubChemData

Smile

COC1=CC=CC=C1O.COC1=CC=CC=C1O.O.O.[Co]

DOS

IR

Vibrations