Geometry & MOs

Info

ID:	2065
PubChem CID:	5700
Reduced:	O5C26H44 (1)
Stoich.:	A5B26C44 (1)
Weight, g/mol:	436.318875
ΔH_f, kcal/mol:	-180.02
Dipole, Da:	3.2
IP(EA), eV:	-9.02(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-(6-methoxy-6-octadeca-14,16-dienyl-3H-1,2-dioxin-3-yl)acetate

Drug info:

PubChemData

Smile

CC=CC=CCCCCCCCCCCCCCC1(C=CC(OO1)CC(=O)OC)OC

DOS

IR

Vibrations