Geometry & MOs

Info

ID:	165482
PubChem CID:	74555701
Reduced:	N3O3C18H23 (1)
Stoich.:	A3B3C18D23 (1)
Weight, g/mol:	344.197417
ΔH_f, kcal/mol:	-82.86
Dipole, Da:	3.72
IP(EA), eV:	-8.52(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

methyl 3-[(4-ethylpiperazin-4-ium-1-yl)methyl]-2-methyl-4-oxo-3H-quinoline-6-carboxylate

Drug info:

PubChemData

Smile

CC1=NC2=C(C=C(C=C2)C(=O)OC)C(=O)C1CN3CCN(CC3)C

DOS

IR

Vibrations