Geometry & MOs

Info

ID:	1345
PubChem CID:	4206
Reduced:	O5C21H36 (1)
Stoich.:	A5B21C36 (1)
Weight, g/mol:	368.256274
ΔH_f, kcal/mol:	-277.55
Dipole, Da:	5.85
IP(EA), eV:	-9.88(0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-[3-hydroxy-2-(4-hydroxy-4-methyloct-1-enyl)-5-oxocyclopentyl]heptanoic acid

Drug info:

PubChemData

Smile

CCCCC(C)(CC=CC1C(CC(=O)C1CCCCCCC(=O)O)O)O

DOS

IR

Vibrations