Geometry & MOs

Info

ID:	219412
PubChem CID:	85148374
Reduced:	ON2C15H16 (2)
Stoich.:	AB2C15D16 (2)
Weight, g/mol:	480.308704
ΔH_f, kcal/mol:	7.6
Dipole, Da:	0.92
IP(EA), eV:	-8.91(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-pentanoyloxyethyl 7-[3-hydroxy-2-(3-hydroxyoct-1-enyl)-5-oxocyclopentyl]hept-5-enoate

Drug info:

PubChemData

Smile

CC(C1=CC=C(C=C1)OCC2=CC=CC=C2)(C(=O)N3CCCCC3C4=NC=C(N4)C5=CC=CC=C5)N

DOS

IR

Vibrations