Geometry & MOs

Info

ID:	81873
PubChem CID:	49855283
Reduced:	NF2O6C17H17 (1)
Stoich.:	AB2C6D17E17 (1)
Weight, g/mol:	389.071093
ΔH_f, kcal/mol:	-309.32
Dipole, Da:	5.91
IP(EA), eV:	-9.83(-1.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[carboxy(phenyl)methyl]-6,7-difluoro-8-methoxy-4-oxoquinoline-3-carboxylic acid

Drug info:

PubChemData

Smile

CCC(C)C(C(=O)O)N1C=C(C(=O)C2=CC(=C(C(=C21)OC)F)F)C(=O)O

DOS

IR

Vibrations