Geometry & MOs

Info

ID:	217622
PubChem CID:	85088114
Reduced:	O2C12H15 (2)
Stoich.:	A2B12C15 (2)
Weight, g/mol:	382.246772
ΔH_f, kcal/mol:	-130.94
Dipole, Da:	3.21
IP(EA), eV:	-9.24(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-[3-(4-cyclohexyl-4-hydroxybutyl)-2,5-dioxoimidazolidin-4-yl]heptanoic acid

Drug info:

PubChemData

Smile

CC1CCC(C(C1)OC(=O)C(=C)C(C2=CC=CO2)O)C(C)(C)C3=CC=CC=C3

DOS

IR

Vibrations