Geometry & MOs

Info

ID:	321621
PubChem CID:	126666690
Reduced:	ON3C10H10 (2)
Stoich.:	AB3C10D10 (2)
Weight, g/mol:	419.156909
ΔH_f, kcal/mol:	81.78
Dipole, Da:	4.13
IP(EA), eV:	-9.06(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-methyl-1-[(2R,4R)-2-methyloxan-4-yl]-8-(trifluoromethyl)imidazo[4,5-c]quinolin-9-yl]-2H-oxadiazole

Drug info:

PubChemData

Smile

C[C@@H]1C[C@@H](CCO1)N2C=NC3=C(N=C4C=CC(=C(C4=C32)N5C=CON5)C#N)C

DOS

IR

Vibrations