Geometry & MOs

Info

ID:	189659
PubChem CID:	77885541
Reduced:	NC11H13 (2)
Stoich.:	AB11C13 (2)
Weight, g/mol:	406.13549
ΔH_f, kcal/mol:	71.73
Dipole, Da:	3.62
IP(EA), eV:	-7.87(0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-[2-(6-bromo-1-hydroxyhex-1-enyl)-3,5-dihydroxycyclopentyl]heptanoic acid

Drug info:

PubChemData

Smile

C=CCC1CCC2C3CN=CC=C3N4C2=C1CC=C5C4CCC=C5

DOS

IR

Vibrations