Geometry & MOs

Info

ID:	203218
PubChem CID:	79794648
Reduced:	BrN2O2C13H13 (1)
Stoich.:	AB2C2D13E13 (1)
Weight, g/mol:	242.096775
ΔH_f, kcal/mol:	-27.79
Dipole, Da:	2.25
IP(EA), eV:	-8.34(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-fluoro-2-(6-methyl-1H-imidazo[4,5-b]pyridin-2-yl)aniline

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1)Br)NCC2=NC=C(C=C2)O

DOS

IR

Vibrations