Geometry & MOs

Info

ID:	186301
PubChem CID:	77416435
Reduced:	O5C23H38 (1)
Stoich.:	A5B23C38 (1)
Weight, g/mol:	394.271924
ΔH_f, kcal/mol:	-248.99
Dipole, Da:	8.93
IP(EA), eV:	-9.75(0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-hydroxy-7-[3-(methoxymethyl)-2-oct-1-enyl-5-oxocyclopentyl]hept-5-enoate

Drug info:

PubChemData

Smile

CCCCCCC=CC1C(CC(=O)C1CC=CCCC(C)(C(=O)O)O)COC

DOS

IR

Vibrations