Geometry & MOs

Info

ID:	169493
PubChem CID:	75110875
Reduced:	O5C18H30 (1)
Stoich.:	A5B18C30 (1)
Weight, g/mol:	358.199153
ΔH_f, kcal/mol:	-248.71
Dipole, Da:	2.21
IP(EA), eV:	-9.65(0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

11,13,16-trihydroxyoctadeca-6,9-dienedioic acid

Drug info:

PubChemData

Smile

CC1CCCC(O1)CCC=CCC=CC(CC(CC(=O)O)O)O

DOS

IR

Vibrations