Geometry & MOs

Info

ID:	321689
PubChem CID:	126666798
Reduced:	F2O3N6C19H22 (1)
Stoich.:	A2B3C6D19E22 (1)
Weight, g/mol:	419.136923
ΔH_f, kcal/mol:	-155.01
Dipole, Da:	0.93
IP(EA), eV:	-9.26(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-fluoro-1-(oxan-4-yl)-2-[[4-(trifluoromethyl)pyrazol-1-yl]methyl]imidazo[4,5-c]quinoline

Drug info:

PubChemData

Smile

C1C[C@H]([C@@H]([C@@H](C1)O)O)NC2=NC=NC3=C2C(NN3)C(=O)NCC4=C(C=CC(=C4)F)F

DOS

IR

Vibrations