Geometry & MOs

Info

ID:	321589
PubChem CID:	126666651
Reduced:	FN6H19C22 (1)
Stoich.:	AB6C19D22 (1)
Weight, g/mol:	414.04915
ΔH_f, kcal/mol:	74.03
Dipole, Da:	4.73
IP(EA), eV:	-9.44(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[8-bromo-1-[(1S,3R)-3-fluorocyclopentyl]imidazo[4,5-c]quinolin-2-yl]methyl]-1,2-oxazole

Drug info:

PubChemData

Smile

CC1=CN=C(C=N1)CC2=NC3=CN=C4C=CC(=CC4=C3N2C5CCC(C5)F)C#N

DOS

IR

Vibrations