Geometry & MOs

Info

ID:	321683
PubChem CID:	126666791
Reduced:	F3O3N6C19H19 (1)
Stoich.:	A3B3C6D19E19 (1)
Weight, g/mol:	348.158626
ΔH_f, kcal/mol:	-168.14
Dipole, Da:	7.09
IP(EA), eV:	-9.1(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,3R)-3-[2-(1,2-oxazol-3-ylmethyl)imidazo[4,5-c]quinolin-1-yl]cyclohexan-1-ol

Drug info:

PubChemData

Smile

CN(CC1=C(C(=CC(=C1)F)F)F)C(=O)C2=C3C(=NN2)N=CN=C3N[C@@H]4CC[C@H]([C@H]4O)O

DOS

IR

Vibrations