Geometry & MOs

Info

ID:	435
PubChem CID:	2764
Reduced:	FN3O3C17H18 (1)
Stoich.:	AB3C3D17E18 (1)
Weight, g/mol:	331.13322
ΔH_f, kcal/mol:	-107.53
Dipole, Da:	12.99
IP(EA), eV:	-9.0(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-cyclopropyl-6-fluoro-4-oxo-7-piperazin-1-ylquinoline-3-carboxylic acid

Drug info:

PubChemData

Smile

C1CC1N2C=C(C(=O)C3=CC(=C(C=C32)N4CCNCC4)F)C(=O)O

DOS

IR

Vibrations