Geometry & MOs

Info

ID:	313897
PubChem CID:	126618720
Reduced:	F2N3O3H19C22 (1)
Stoich.:	A2B3C3D19E22 (1)
Weight, g/mol:	470.181727
ΔH_f, kcal/mol:	-128.83
Dipole, Da:	4.57
IP(EA), eV:	-8.92(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-[3-methyl-4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]propanoic acid

Drug info:

PubChemData

Smile

C1CN(CC2=CN=C(N=C21)C3=CC=C(C=C3)OCC4=CC(=CC(=C4)F)F)CC(=O)O

DOS

IR

Vibrations