Geometry & MOs

Info

ID:	318360
PubChem CID:	126650735
Reduced:	NO4C13H17 (1)
Stoich.:	AB4C13D17 (1)
Weight, g/mol:	456.166077
ΔH_f, kcal/mol:	-138.55
Dipole, Da:	6.15
IP(EA), eV:	-9.76(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1[C@H]([C@H](N1C(=O)O)CO)COCC2=CC=CC=C2

DOS

IR

Vibrations