Geometry & MOs

Info

ID:	310074
PubChem CID:	126573767
Reduced:	N2Cl4O5H8C21 (1)
Stoich.:	A2B4C5D8E21 (1)
Weight, g/mol:	383.071594
ΔH_f, kcal/mol:	-77.93
Dipole, Da:	0.39
IP(EA), eV:	-9.65(-1.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5,7-dichloro-2-[[[5-(2-fluoroethyl)-2H-triazol-4-yl]methyl-methylamino]methyl]quinolin-8-ol

Drug info:

PubChemData

Smile

C1=CC2=C(C(=C(C=C2Cl)Cl)OC(=O)OC3=C(C=C(C4=C3N=C(C=C4)C=O)Cl)Cl)N=C1C=O

DOS

IR

Vibrations