Geometry & MOs

Info

ID:	311205
PubChem CID:	126589906
Reduced:	O2N3C26H33 (1)
Stoich.:	A2B3C26D33 (1)
Weight, g/mol:	524.228677
ΔH_f, kcal/mol:	-63.57
Dipole, Da:	3.59
IP(EA), eV:	-8.83(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-(2,2-difluoro-6-azaspiro[2.5]octan-6-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)C)C2=CC3=C(CNCC3)C=C2)N4CCC5(CCC5)CC4)CC(=O)O

DOS

IR

Vibrations