Geometry & MOs

Info

ID:	46599
PubChem CID:	10525477
Reduced:	ClFN3O3C20H23 (1)
Stoich.:	ABC3D3E20F23 (1)
Weight, g/mol:	371.16452
ΔH_f, kcal/mol:	-22.87
Dipole, Da:	69.08
IP(EA), eV:	-5.19(-3.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

prop-2-enyl 1-cyclopropyl-6-fluoro-4-oxo-7-piperazin-1-ylquinoline-3-carboxylate

Drug info:

PubChemData

Smile

C=CCOC(=O)C1=CN(C2=CC(=C(C=C2C1=O)F)N3CC[NH2+]CC3)C4CC4.[Cl-]

DOS

IR

Vibrations