Geometry & MOs

Info

ID:	171950
PubChem CID:	75445252
Reduced:	BrFN2O2C13H14 (1)
Stoich.:	ABC2D2E13F14 (1)
Weight, g/mol:	343.16444
ΔH_f, kcal/mol:	-82.38
Dipole, Da:	5.79
IP(EA), eV:	-8.86(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-methyl-2-[4-(2-methyl-8-nitroquinolin-4-yl)piperazin-1-yl]acetamide

Drug info:

PubChemData

Smile

C1=CN=C2C(=CC(=CC2=C1NCCOCCO)Br)F

DOS

IR

Vibrations