Geometry & MOs

Info

ID:	437234
PubChem CID:	135216472
Reduced:	FN3O3C29H34 (1)
Stoich.:	AB3C3D29E34 (1)
Weight, g/mol:	458.256943
ΔH_f, kcal/mol:	-127.07
Dipole, Da:	4.86
IP(EA), eV:	-8.89(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-(4,4-dimethylpiperidin-1-yl)-2-methyl-5-[4-(2-phenylethoxy)phenyl]pyridin-3-yl]acetic acid

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)F)CCOC2=CN=C(C=C2)C3=CN=C(C(=C3N4CCC(CC4)(C)C)CC(=O)O)C

DOS

IR

Vibrations