Geometry & MOs

Info

ID:	12059
PubChem CID:	128410
Reduced:	FN3O3H22C23 (1)
Stoich.:	AB3C3D22E23 (1)
Weight, g/mol:	407.16452
ΔH_f, kcal/mol:	-85.48
Dipole, Da:	11.89
IP(EA), eV:	-9.05(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-fluoro-4-oxo-1-[(1R,2S)-2-phenylcyclopropyl]-7-piperazin-1-ylquinoline-3-carboxylic acid

Drug info:

PubChemData

Smile

C1CN(CCN1)C2=C(C=C3C(=C2)N(C=C(C3=O)C(=O)O)[C@@H]4C[C@H]4C5=CC=CC=C5)F

DOS

IR

Vibrations