Geometry & MOs

Info

ID:	327184
PubChem CID:	126689168
Reduced:	BrFN2O2H12C13 (1)
Stoich.:	ABC2D2E12F13 (1)
Weight, g/mol:	449.222703
ΔH_f, kcal/mol:	-95.05
Dipole, Da:	5.2
IP(EA), eV:	-9.37(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-[6-[3-(azetidin-1-yl)propoxy]pyridin-3-yl]-7-fluoro-3-methyl-1-propan-2-ylimidazo[4,5-c]quinolin-2-one

Drug info:

PubChemData

Smile

CC(C)NC1=C(C=NC2=CC(=C(C=C21)Br)F)C(=O)O

DOS

IR

Vibrations