Geometry & MOs

Info

ID:	186266
PubChem CID:	77413397
Reduced:	O3C11H15 (2)
Stoich.:	A3B11C15 (2)
Weight, g/mol:	390.204239
ΔH_f, kcal/mol:	-251.81
Dipole, Da:	8.46
IP(EA), eV:	-8.82(0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-hydroxy-5-[3-(oxan-2-yloxy)-4-phenoxybut-2-enyl]cyclopentyl]acetic acid

Drug info:

PubChemData

Smile

C1CCOC(C1)OC(=CCCOC2=CC=CC=C2)C3CCC(C3CC(=O)O)O

DOS

IR

Vibrations