Geometry & MOs

Info

ID:	190419
PubChem CID:	78001900
Reduced:	ClN3O6H22C23 (1)
Stoich.:	AB3C6D22E23 (1)
Weight, g/mol:	306.07712
ΔH_f, kcal/mol:	-192.35
Dipole, Da:	6.5
IP(EA), eV:	-9.77(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-chloro-2-oxo-8-(pyrrolidin-1-ylmethyl)-8H-quinoline-3-carboxylic acid

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)CN2C(=CC(=N2)C(=O)NC(CC3=CC=CC=C3Cl)C(C(=O)O)O)C(=O)O

DOS

IR

Vibrations