Geometry & MOs

Info

ID:	176766
PubChem CID:	76095943
Reduced:	O3C12H20 (1)
Stoich.:	A3B12C20 (1)
Weight, g/mol:	516.147906
ΔH_f, kcal/mol:	-99.8
Dipole, Da:	3.84
IP(EA), eV:	-9.16(0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4,5,6-triacetyl-5,6-diacetyloxy-7-hydroxy-7-(hydroxymethyl)-2,3,8-trioxononan-4-yl] acetate

Drug info:

PubChemData

Smile

CC(OCCOC=C)OCC(=CC=C)C

DOS

IR

Vibrations