Geometry & MOs

Info

ID:	435377
PubChem CID:	135191327
Reduced:	INO5C19H24 (1)
Stoich.:	ABC5D19E24 (1)
Weight, g/mol:	385.132551
ΔH_f, kcal/mol:	-172.95
Dipole, Da:	8.64
IP(EA), eV:	-9.01(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[(2-fluoro-3-methylphenyl)methyl]-1-(2-hydroxyethyl)-7-methoxy-4-oxoquinoline-3-carboxylic acid

Drug info:

PubChemData

Smile

CCOC(=O)C1=CN(C2=CC(=C(C=C2C1=O)I)OC)[C@H](COC)C(C)C

DOS

IR

Vibrations