Geometry & MOs

Info

ID:	310016
PubChem CID:	126572836
Reduced:	NO4C9H13 (1)
Stoich.:	AB4C9D13 (1)
Weight, g/mol:	411.159434
ΔH_f, kcal/mol:	-112.98
Dipole, Da:	5.37
IP(EA), eV:	-9.78(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-cyclopropyl-3-[3-[[1-(5-fluoro-2-methoxypyridin-4-yl)pyrazol-4-yl]methoxy]phenyl]propanoic acid

Drug info:

PubChemData

Smile

CC(C)(C)COC1=CON=C1C(=O)O

DOS

IR

Vibrations