Geometry & MOs

Info

ID:	199845
PubChem CID:	79306414
Reduced:	BrN4C13H17 (1)
Stoich.:	AB4C13D17 (1)
Weight, g/mol:	347.00918
ΔH_f, kcal/mol:	44.34
Dipole, Da:	5.32
IP(EA), eV:	-8.82(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-bromo-3-[1-(2-methylphenyl)ethyl]-1H-imidazo[4,5-b]pyridine-2-thione

Drug info:

PubChemData

Smile

CC1CCC(CC1)N2C3=C(C=C(C=N3)Br)N=C2N

DOS

IR

Vibrations