Geometry & MOs

Info

ID:	29197
PubChem CID:	832287
Reduced:	ON5C17H23 (1)
Stoich.:	AB5C17D23 (1)
Weight, g/mol:	329.210327
ΔH_f, kcal/mol:	22.91
Dipole, Da:	1.72
IP(EA), eV:	-8.34(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-ethoxy-3-[(4-ethylpiperazin-1-yl)methyl]-2-methyl-1H-quinolin-4-one

Drug info:

PubChemData

Smile

CN1CCN(CC1)C2=NC3=CC=CC=C3C(=N2)N4CCOCC4

DOS

IR

Vibrations