Geometry & MOs

Info

ID:	187268
PubChem CID:	77553062
Reduced:	O7N10C45H56 (1)
Stoich.:	A7B10C45D56 (1)
Weight, g/mol:	322.052048
ΔH_f, kcal/mol:	-217.17
Dipole, Da:	6.48
IP(EA), eV:	-8.2(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-amino-6-(2-chloro-4-fluorophenoxy)-1-hydroxy-3,4-dihydroquinolin-2-one

Drug info:

PubChemData

Smile

CC(C)C(C(=O)N1CCCC1C2=NC3=C(N2)C=C(C=C3)C4CCC(N4C5=CN=C(C=C5)OC)C6=CC7=C(C=C6)N=C(N7)C8CCCN8C(=O)C(C(C)C)NC(=O)OC)NC(=O)O

DOS

IR

Vibrations