Geometry & MOs

Info

ID:	311202
PubChem CID:	126589887
Reduced:	BrFN2O3C34H40 (1)
Stoich.:	ABC2D3E34F40 (1)
Weight, g/mol:	502.263171
ΔH_f, kcal/mol:	-141.0
Dipole, Da:	3.51
IP(EA), eV:	-8.6(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-(2-azaspiro[4.4]nonan-2-yl)-5-[4-[2-(4-fluorophenyl)ethoxy]phenyl]-2,6-dimethylpyridin-3-yl]acetic acid

Drug info:

PubChemData

Smile

CC1=C(C(=C(C(=N1)CBr)C2=CC=C(C=C2)OCCC3=CC=C(C=C3)F)N4CCC5(CCC5)CC4)CC(=O)OC(C)C

DOS

IR

Vibrations