Geometry & MOs

Info

ID:	185182
PubChem CID:	77266797
Reduced:	FN3O3C29H34 (1)
Stoich.:	AB3C3D29E34 (1)
Weight, g/mol:	427.154349
ΔH_f, kcal/mol:	-115.15
Dipole, Da:	3.3
IP(EA), eV:	-8.56(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-fluoro-4-[(3-hydroxy-2-methoxypyridin-4-yl)methyl]-N-(3-hydroxyoxan-4-yl)quinoline-2-carboxamide

Drug info:

PubChemData

Smile

CCC(C1=CC=C(C=C1)OCC2=CC=C(C=C2)F)NC3CCN(C3)C4=C(C=CC=N4)C(=O)OC(C)C

DOS

IR

Vibrations