Geometry & MOs

Info

ID:	188306
PubChem CID:	77696241
Reduced:	N3O5C22H25 (1)
Stoich.:	A3B5C22D25 (1)
Weight, g/mol:	309.088019
ΔH_f, kcal/mol:	-142.81
Dipole, Da:	5.7
IP(EA), eV:	-8.95(-1.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-oxo-8-piperazin-1-yl-8H-quinoline-2-carboxylic acid;hydrochloride

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1CCCC(=C2C=C(C(=NC2=C3C=CC=CC3=O)N)C(=O)O)C1

DOS

IR

Vibrations