Geometry & MOs

Info

ID:	399009
PubChem CID:	135037009
Reduced:	RuO3C11H15 (1)
Stoich.:	AB3C11D15 (1)
Weight, g/mol:	306.04667
ΔH_f, kcal/mol:	28.29
Dipole, Da:	6.89
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.761864
Charge, e:	0

Chem-info

IUPAC name:

2-[(1S,3R,4R,5R)-3-bromo-4,5-dihydroxy-4-methylcyclohexyl]prop-2-enyl acetate

Drug info:

PubChemData

Smile

[CH3-].CC(C1=CC=CC=C1)O.[CH-]=O.[CH-]=O.[Ru+3]

DOS

IR

Vibrations