Geometry & MOs

Info

ID:	44011
PubChem CID:	10322882
Reduced:	N2Cl3O4H17C22 (1)
Stoich.:	A2B3C4D17E22 (1)
Weight, g/mol:	480.187206
ΔH_f, kcal/mol:	-72.04
Dipole, Da:	7.04
IP(EA), eV:	-8.64(-1.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-2-[3-[1-[[4-(trifluoromethoxy)phenyl]methylcarbamoyl]piperidin-3-yl]phenoxy]propanoic acid

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)N=C2CC3(C(=C(C(=O)C(=C3Cl)Cl)Cl)N2C4=CC=C(C=C4)OC)O

DOS

IR

Vibrations