Geometry & MOs

Info

ID:	141819
PubChem CID:	52932978
Reduced:	NO2C15H20 (2)
Stoich.:	AB2C15D20 (2)
Weight, g/mol:	408.078932
ΔH_f, kcal/mol:	-144.72
Dipole, Da:	5.28
IP(EA), eV:	-9.18(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(5-chloro-2-fluorophenyl)-7-(3,5-dimethyl-1,2-oxazol-4-yl)-3H-imidazo[4,5-c]quinolin-2-one

Drug info:

PubChemData

Smile

CC1([C@H]2C[C@@H]1[C@]([C@@H](C2)O)(CCOC3=CC=C(C=C3)C(=O)N4CCC(CC4)C5=CC=CC(=C5)CN)O)C

DOS

IR

Vibrations