Geometry & MOs

Info

ID:	321623
PubChem CID:	126666692
Reduced:	ON3C10H10 (2)
Stoich.:	AB3C10D10 (2)
Weight, g/mol:	419.156909
ΔH_f, kcal/mol:	75.76
Dipole, Da:	2.73
IP(EA), eV:	-8.4(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@@H]1C[C@@H](CCO1)N2C(=NC3=C2C4=C(C=CC(=C4)C#N)N=C3N5C=CON5)C

DOS

IR

Vibrations