Geometry & MOs

Info

ID:	186606
PubChem CID:	77452808
Reduced:	N2F3O3C26H27 (1)
Stoich.:	A2B3C3D26E27 (1)
Weight, g/mol:	285.136493
ΔH_f, kcal/mol:	-227.59
Dipole, Da:	4.07
IP(EA), eV:	-9.35(0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-tert-butyl-6-cyclopropyl-4-oxo-8H-quinoline-2-carboxylic acid

Drug info:

PubChemData

Smile

C1CN(CC=C1C2=CC=CC=C2)C(=O)C3CC(=O)C4CC(CC(C4N3)C(F)(F)F)C5=COC=C5

DOS

IR

Vibrations