Geometry & MOs

Info

ID:	321636
PubChem CID:	126666708
Reduced:	N6H12C17 (1)
Stoich.:	A6B12C17 (1)
Weight, g/mol:	380.164854
ΔH_f, kcal/mol:	136.87
Dipole, Da:	8.87
IP(EA), eV:	-9.33(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[1-(2,2-dimethyloxan-4-yl)-8-fluoroimidazo[4,5-c]quinolin-2-yl]methyl]-1,2-oxazole

Drug info:

PubChemData

Smile

CC1=CN=C(C=N1)CC2=NC3=C4C=C(C=CC4=NC=C3N2)C#N

DOS

IR

Vibrations