Geometry & MOs

Info

ID:

300366

PubChem CID:

121270486

Reduced:

ClON4C19H20 (1)

Stoich.:

ABC4D19E20 (1)

Weight, g/mol:

486.262885

ΔHf, kcal/mol:

81.28

Dipole, Da:

4.03

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 1.073122

Charge, e:

 0

Chem-info

IUPAC name:

6-[2-[[(1-deuteriocyclopentyl)-(4-phenylbenzoyl)amino]methyl]phenoxy]hexanoic acid

Drug info:

PubChemData

Smile

CC1C([N+](=O)C2=C1C=C(C=C2)Cl)C3=CC(=CN=C3)N4CC5(C4)CNC5

DOS

IR

Vibrations