Geometry & MOs

Info

ID:	188711
PubChem CID:	77758402
Reduced:	O2C19H28 (1)
Stoich.:	A2B19C28 (1)
Weight, g/mol:	358.214409
ΔH_f, kcal/mol:	-115.45
Dipole, Da:	5.64
IP(EA), eV:	-9.13(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-[2-[2-(3,4-dimethylphenyl)ethenyl]-3-hydroxy-5-oxocyclopentyl]heptanoic acid

Drug info:

PubChemData

Smile

CC12CCCC1C3CCC4=C(C(=O)CCC4(C3CC2)C)O

DOS

IR

Vibrations