Geometry & MOs

Info

ID:	373767
PubChem CID:	131319841
Reduced:	NF2O2C10H13 (1)
Stoich.:	AB2C2D10E13 (1)
Weight, g/mol:	280.96
ΔH_f, kcal/mol:	-160.05
Dipole, Da:	1.67
IP(EA), eV:	-9.19(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-8-bromo-6-fluoro-4-oxo-1H-quinoline-3-carbonitrile

Drug info:

PubChemData

Smile

C[C@H]([C@H](C1=CC(=C(C(=C1)F)F)OC)O)N

DOS

IR

Vibrations