Geometry & MOs

Info

ID:	179146
PubChem CID:	76441157
Reduced:	NO2C13H15 (2)
Stoich.:	AB2C13D15 (2)
Weight, g/mol:	438.298139
ΔH_f, kcal/mol:	-177.28
Dipole, Da:	3.09
IP(EA), eV:	-8.85(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

propan-2-yl 2-hydroxy-2-(2-hydroxyethoxy)-7-(2-octa-1,5-dienyl-5-oxocyclopentyl)heptanoate

Drug info:

PubChemData

Smile

C1CC2=C(C(=O)C1)C(=CC=C2)NC(=O)C3CCC(CC3)N4C(=O)C5C6CCC(C6)C5C4=O

DOS

IR

Vibrations