Geometry & MOs

Info

ID:	321706
PubChem CID:	126666837
Reduced:	F3O3N6C19H21 (1)
Stoich.:	A3B3C6D19E21 (1)
Weight, g/mol:	420.207388
ΔH_f, kcal/mol:	-183.84
Dipole, Da:	7.42
IP(EA), eV:	-9.47(-1.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(4-cyclopropyltriazol-1-yl)methyl]-1-(2,2-dimethyloxan-4-yl)-8-fluoroimidazo[4,5-c]quinoline

Drug info:

PubChemData

Smile

C1C=C(C(=CC1F)[C@@H](CO)NC(=O)C2=C3C(=NN2)N=CN=C3N[C@@H]4C[C@H](C[C@H]4O)F)F

DOS

IR

Vibrations