Geometry & MOs

Info

ID:	162634
PubChem CID:	57410856
Reduced:	F3N3O3H20C21 (1)
Stoich.:	A3B3C3D20E21 (1)
Weight, g/mol:	406.125275
ΔH_f, kcal/mol:	-219.72
Dipole, Da:	7.74
IP(EA), eV:	-9.06(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,2-dimethyl-3-[4-[5-[5-(trifluoromethyl)-1H-imidazol-2-yl]pyrazin-2-yl]phenoxy]propanoic acid

Drug info:

PubChemData

Smile

CC1=CC(=NC=C1C2=NC=C(N2)C(F)(F)F)C3=CC=C(C=C3)OCC(C)(C)C(=O)O

DOS

IR

Vibrations