Geometry & MOs

Info

ID:	1897
PubChem CID:	5294
Reduced:	O5C26H42 (1)
Stoich.:	A5B26C42 (1)
Weight, g/mol:	434.303224
ΔH_f, kcal/mol:	-176.72
Dipole, Da:	5.89
IP(EA), eV:	-9.14(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[6-(5-hexadeca-9,11,15-trienyloxolan-2-yl)dioxan-3-yl]acetic acid

Drug info:

PubChemData

Smile

C=CCCC=CC=CCCCCCCCCC1CCC(O1)C2CCC(OO2)CC(=O)O

DOS

IR

Vibrations