Geometry & MOs

Info

ID:	308919
PubChem CID:	126531865
Reduced:	ON8H20C22 (1)
Stoich.:	AB8C20D22 (1)
Weight, g/mol:	374.119734
ΔH_f, kcal/mol:	145.45
Dipole, Da:	4.9
IP(EA), eV:	-8.77(-2.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[3-[1-[(3-chloroquinolin-4-yl)amino]ethyl]-4-fluorophenoxy]propan-1-ol

Drug info:

PubChemData

Smile

CCCCC(=O)NC1=CN=CC(=C1)C2=NC\3=C(C=C2)NN/C3=C\4/N=C5C=CN=CC5=N4

DOS

IR

Vibrations