Geometry & MOs

Info

ID:	321594
PubChem CID:	126666657
Reduced:	ClON6C20H21 (1)
Stoich.:	ABC6D20E21 (1)
Weight, g/mol:	366.149204
ΔH_f, kcal/mol:	59.24
Dipole, Da:	2.17
IP(EA), eV:	-9.3(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@@H]1C[C@@H](CCO1)N2C(=NC3=CN=C4C=CC(=CC4=C32)Cl)CN5C=C(N=N5)C

DOS

IR

Vibrations