Geometry & MOs

Info

ID:	321532
PubChem CID:	126666538
Reduced:	O2N3C16H21 (1)
Stoich.:	A2B3C16D21 (1)
Weight, g/mol:	431.156909
ΔH_f, kcal/mol:	-49.39
Dipole, Da:	1.99
IP(EA), eV:	-8.28(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

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

DOS

IR

Vibrations