Geometry & MOs

Info

ID:	327183
PubChem CID:	126689167
Reduced:	FO3N5C27H32 (1)
Stoich.:	AB3C5D27E32 (1)
Weight, g/mol:	326.00662
ΔH_f, kcal/mol:	-68.89
Dipole, Da:	4.01
IP(EA), eV:	-8.71(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-bromo-7-fluoro-4-(propan-2-ylamino)quinoline-3-carboxylic acid

Drug info:

PubChemData

Smile

CC(C)N1C2=C(C=NC3=CC(=C(C=C32)C4=CN=C(C=C4)OCCC[N+]5(CCCCC5)[O-])F)N(C1=O)C

DOS

IR

Vibrations