Geometry & MOs

Info

ID:	321607
PubChem CID:	126666675
Reduced:	ClON3C15H18 (1)
Stoich.:	ABC3D15E18 (1)
Weight, g/mol:	318.072845
ΔH_f, kcal/mol:	-17.33
Dipole, Da:	3.17
IP(EA), eV:	-8.62(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3H-imidazo[4,5-c]quinolin-2-ylmethyl)-5-(trifluoromethyl)-1,2-oxazole

Drug info:

PubChemData

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C[C@@H]1C[C@@H](CCO1)NC2=C3C=C(C=CC3=NC=C2N)Cl

DOS

IR

Vibrations