Geometry & MOs

Info

ID:	390952
PubChem CID:	135001754
Reduced:	OC17H32 (1)
Stoich.:	AB17C32 (1)
Weight, g/mol:	489.163496
ΔH_f, kcal/mol:	-86.68
Dipole, Da:	1.57
IP(EA), eV:	-9.29(0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(3R,6R)-3,4,5-triacetyloxy-6-[(E)-3-(4-cyanophenyl)prop-2-enoxy]oxan-2-yl]methyl acetate

Drug info:

PubChemData

Smile

CCCCCC/C=C\C=C\C(CCCCCC)O

DOS

IR

Vibrations