Geometry & MOs

Info

ID:	321602
PubChem CID:	126666668
Reduced:	O3N5C21H23 (1)
Stoich.:	A3B5C21D23 (1)
Weight, g/mol:	440.08479
ΔH_f, kcal/mol:	3.26
Dipole, Da:	5.36
IP(EA), eV:	-8.66(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[8-bromo-1-(2-methyloxan-4-yl)imidazo[4,5-c]quinolin-2-yl]methyl]-5-methyl-1,2-oxazole

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations