Geometry & MOs

Info

ID:	191904
PubChem CID:	78199629
Reduced:	ON2H3C4 (2)
Stoich.:	AB2C3D4 (2)
Weight, g/mol:	298.052048
ΔH_f, kcal/mol:	19.68
Dipole, Da:	0.7
IP(EA), eV:	-9.68(-2.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-chloro-6-fluoro-N-(2-hydroxypropyl)-4-oxo-3H-quinoline-3-carboxamide

Drug info:

PubChemData

Smile

CC1=NC(=O)C2=C(N=NC(=O)C2=C1)N

DOS

IR

Vibrations