Geometry & MOs

Info

ID:	189640
PubChem CID:	77884523
Reduced:	O7C21H24 (1)
Stoich.:	A7B21C24 (1)
Weight, g/mol:	452.313789
ΔH_f, kcal/mol:	-229.46
Dipole, Da:	1.5
IP(EA), eV:	-9.26(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 1-(7-ethoxy-5-methyl-7-oxoheptyl)-2-(3-hydroxyoct-1-enyl)-5-oxocyclopentane-1-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)C(C)(C1C(CC(=O)C2=COC=CC12)C3=CC=CO3)C(=O)OCC

DOS

IR

Vibrations