Geometry & MOs

Info

ID:	18114
PubChem CID:	538281
Reduced:	O6C25H38 (1)
Stoich.:	A6B25C38 (1)
Weight, g/mol:	434.266839
ΔH_f, kcal/mol:	-288.0
Dipole, Da:	3.54
IP(EA), eV:	-9.8(-0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6-decoxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl) acetate

Drug info:

PubChemData

Smile

CCCCCCCCCCOC1CC(C2C(O1)COC(O2)C3=CC=CC=C3)OC(=O)C

DOS

IR

Vibrations