Geometry & MOs

Info

ID:	321539
PubChem CID:	126666546
Reduced:	ON6H20C22 (1)
Stoich.:	AB6C20D22 (1)
Weight, g/mol:	396.146537
ΔH_f, kcal/mol:	89.79
Dipole, Da:	4.9
IP(EA), eV:	-9.43(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-chloro-1-[(2R,4R)-2-methyloxan-4-yl]-2-[(1-methyltriazol-4-yl)methyl]imidazo[4,5-c]quinoline

Drug info:

PubChemData

Smile

C[C@@H]1C[C@@H](CCO1)N2C(=NC3=CN=C4C=CC(=CC4=C32)C#N)CC5=NC=CN=C5

DOS

IR

Vibrations