Geometry & MOs

Info

ID:	327181
PubChem CID:	126689164
Reduced:	BrFON3H13C14 (1)
Stoich.:	ABCD3E13F14 (1)
Weight, g/mol:	477.254003
ΔH_f, kcal/mol:	-40.24
Dipole, Da:	2.38
IP(EA), eV:	-8.85(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-[2-fluoro-6-(3-piperidin-1-ylpropoxy)pyridin-3-yl]-3-methyl-1-propan-2-ylimidazo[4,5-c]quinolin-2-one

Drug info:

PubChemData

Smile

CC(C)N1C2=C(C=NC3=CC(=C(C=C32)Br)F)N(C1=O)C

DOS

IR

Vibrations