Geometry & MOs

Info

ID:	147110
PubChem CID:	53786763
Reduced:	OC13H16 (1)
Stoich.:	AB13C16 (1)
Weight, g/mol:	398.303224
ΔH_f, kcal/mol:	-15.03
Dipole, Da:	3.75
IP(EA), eV:	-9.55(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-hydroxy-7-[(1S,2S,3R)-2-(4-hydroxyoct-1-enyl)-3-propoxycyclopentyl]heptanoic acid

Drug info:

PubChemData

Smile

CC(C)(C)C1=CC=CC(=C1)C(=O)C=C

DOS

IR

Vibrations