Geometry & MOs

Info

ID:	313924
PubChem CID:	126619004
Reduced:	N3O3C29H35 (1)
Stoich.:	A3B3C29D35 (1)
Weight, g/mol:	420.184921
ΔH_f, kcal/mol:	-74.57
Dipole, Da:	7.03
IP(EA), eV:	-8.76(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-(3-fluoro-4-phenylmethoxyphenyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-2-methylpropanoic acid

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C2=NC=C3CN(CCC3=N2)CC(C)CC(=O)O)OCC4=CC=C(C=C4)C(C)C

DOS

IR

Vibrations