Geometry & MOs

Info

ID:	311283
PubChem CID:	126590222
Reduced:	BrON2C16H21 (1)
Stoich.:	ABC2D16E21 (1)
Weight, g/mol:	546.289386
ΔH_f, kcal/mol:	-21.88
Dipole, Da:	2.04
IP(EA), eV:	-8.92(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C(=C(C(=N1)C)Br)N2CCC3(CC3)CC2)C(=O)C

DOS

IR

Vibrations