Geometry & MOs

Info

ID:	327169
PubChem CID:	126689141
Reduced:	BrN2O2C13H13 (1)
Stoich.:	AB2C2D13E13 (1)
Weight, g/mol:	455.213281
ΔH_f, kcal/mol:	-47.44
Dipole, Da:	5.79
IP(EA), eV:	-9.2(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-[6-[3-(dimethylamino)propoxy]-2-fluoropyridin-3-yl]-7-fluoro-3-methyl-1-propan-2-ylimidazo[4,5-c]quinolin-2-one

Drug info:

PubChemData

Smile

CC(C)NC1=C2C=C(C=CC2=NC=C1C(=O)O)Br

DOS

IR

Vibrations