Geometry & MOs

Info

ID:	311206
PubChem CID:	126589908
Reduced:	N2F3O3C30H31 (1)
Stoich.:	A2B3C3D30E31 (1)
Weight, g/mol:	520.253749
ΔH_f, kcal/mol:	-207.03
Dipole, Da:	6.85
IP(EA), eV:	-9.1(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-(7-azaspiro[3.5]nonan-7-yl)-6-(fluoromethyl)-5-[4-[2-(4-fluorophenyl)ethoxy]phenyl]-2-methylpyridin-3-yl]acetic acid

Drug info:

PubChemData

Smile

CC1=C(C(=C(C(=N1)C)C2=CC=C(C=C2)OCCC3=CC=C(C=C3)F)N4CCC5(CC4)CC5(F)F)CC(=O)O

DOS

IR

Vibrations