Geometry & MOs

Info

ID:	162632
PubChem CID:	57410849
Reduced:	ON4H16C20 (1)
Stoich.:	AB4C16D20 (1)
Weight, g/mol:	447.176976
ΔH_f, kcal/mol:	79.76
Dipole, Da:	2.86
IP(EA), eV:	-8.66(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,2-dimethyl-3-[4-[5-[5-(1,1,1-trifluoro-2-methylpropan-2-yl)-1H-imidazol-2-yl]pyridin-2-yl]phenoxy]propanoic acid

Drug info:

PubChemData

Smile

C1CC1C(=O)NC2=NC=C3C=C(C=CC3=C2)C4=C5C=NNC5=CC=C4

DOS

IR

Vibrations