Geometry & MOs

Info

ID:	327999
PubChem CID:	126691670
Reduced:	N3O5F6H33C34 (1)
Stoich.:	A3B5C6D33E34 (1)
Weight, g/mol:	328.178693
ΔH_f, kcal/mol:	-449.06
Dipole, Da:	11.63
IP(EA), eV:	-8.67(-1.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-methoxy-3-[2-methyl-6-(methylamino)pyridin-3-yl]phenyl]-2,2-dimethylpropanoic acid

Drug info:

PubChemData

Smile

C[C@H]1C(OC(=O)N1CC2=C(C=CC(=N2)N3CCC3)C4=C(C=CC(=C4)C5CC(C5)CC(=O)O)OC)C6=CC(=CC(=C6)C(F)(F)F)C(F)(F)F

DOS

IR

Vibrations