Geometry & MOs

Info

ID:	199842
PubChem CID:	79306411
Reduced:	BrN5C13H20 (1)
Stoich.:	AB5C13D20 (1)
Weight, g/mol:	320.00729
ΔH_f, kcal/mol:	49.61
Dipole, Da:	3.81
IP(EA), eV:	-8.73(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-bromo-3-[(2-fluorophenyl)methyl]imidazo[4,5-b]pyridin-2-amine

Drug info:

PubChemData

Smile

CC(C)(CN1C2=C(C=C(C=N2)Br)N=C1N)CN(C)C

DOS

IR

Vibrations