Geometry & MOs

Info

ID:	171949
PubChem CID:	75445251
Reduced:	FO3N6H23C28 (1)
Stoich.:	AB3C6D23E28 (1)
Weight, g/mol:	328.02227
ΔH_f, kcal/mol:	-13.34
Dipole, Da:	2.79
IP(EA), eV:	-8.99(-1.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-[(6-bromo-8-fluoroquinolin-4-yl)amino]ethoxy]ethanol

Drug info:

PubChemData

Smile

C1CN(CCN1C2=CC=CC=C2F)C(=O)CN3C4=CC=CC=C4C5=NC(=O)C(=NN5C3=O)C6=CC=CC=C6

DOS

IR

Vibrations