Geometry & MOs

Info

ID:	321601
PubChem CID:	126666667
Reduced:	BrO2N4C21H21 (1)
Stoich.:	AB2C4D21E21 (1)
Weight, g/mol:	393.18009
ΔH_f, kcal/mol:	33.79
Dipole, Da:	4.03
IP(EA), eV:	-9.23(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[8-methoxy-1-[(2S,4S)-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)Br)CC5=NOC(=C5)C

DOS

IR

Vibrations