Geometry & MOs

Info

ID:	437233
PubChem CID:	135216471
Reduced:	ClN3C20H26 (1)
Stoich.:	AB3C20D26 (1)
Weight, g/mol:	491.25842
ΔH_f, kcal/mol:	20.79
Dipole, Da:	7.21
IP(EA), eV:	-8.79(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-(4,4-dimethylpiperidin-1-yl)-5-[5-[2-(4-fluoro-2-methylphenyl)ethoxy]pyridin-2-yl]-2-methylpyridin-3-yl]acetic acid

Drug info:

PubChemData

Smile

CCC1=C(C(=CN=C1Cl)C2=NC=C(C=C2)C)N3CCC(CC3)(C)C

DOS

IR

Vibrations