Geometry & MOs

Info

ID:	321658
PubChem CID:	126666746
Reduced:	ClO2N5C20H20 (1)
Stoich.:	AB2C5D20E20 (1)
Weight, g/mol:	383.114903
ΔH_f, kcal/mol:	31.33
Dipole, Da:	5.71
IP(EA), eV:	-9.19(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@H]1C[C@H](CCO1)N2C(=NC3=CN=C4C=CC(=CC4=C32)Cl)CC5=NOC(=N5)C

DOS

IR

Vibrations