Geometry & MOs

Info

ID:	321528
PubChem CID:	126666528
Reduced:	ClON6C20H21 (1)
Stoich.:	ABC6D20E21 (1)
Weight, g/mol:	397.130553
ΔH_f, kcal/mol:	63.28
Dipole, Da:	4.59
IP(EA), eV:	-9.21(-0.94)
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]-5-methyl-1,2,4-oxadiazole

Drug info:

PubChemData

Smile

C[C@@H]1C[C@@H](CCO1)N2C(=NC3=CN=C4C=CC(=CC4=C32)Cl)CN5N=CC(=N5)C

DOS

IR

Vibrations