Geometry & MOs

Info

ID:	186298
PubChem CID:	77416314
Reduced:	O3C16H28 (1)
Stoich.:	A3B16C28 (1)
Weight, g/mol:	396.287574
ΔH_f, kcal/mol:	-198.9
Dipole, Da:	2.97
IP(EA), eV:	-10.11(2.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2,2-dihydroxy-7-[3-(methoxymethyl)-2-oct-1-enylcyclopentyl]hept-5-enoate

Drug info:

PubChemData

Smile

CC(C)CC1CCC2C3CCC(C3CCC2(O1)O)O

DOS

IR

Vibrations