Geometry & MOs

Info

ID:	437369
PubChem CID:	135226178
Reduced:	O2C11H18 (2)
Stoich.:	A2B11C18 (2)
Weight, g/mol:	334.28718
ΔH_f, kcal/mol:	-183.69
Dipole, Da:	2.91
IP(EA), eV:	-9.11(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3Z,6S,7E,9Z,11E,13S)-docosa-3,7,9,11-tetraene-6,13-diol

Drug info:

PubChemData

Smile

CC/C=C\C[C@@H](/C=C/C=C\C=C\[C@H](CCCCCCCCC(=O)O)O)O

DOS

IR

Vibrations