Geometry & MOs

Info

ID:	199835
PubChem CID:	79305914
Reduced:	BrN5C12H18 (1)
Stoich.:	AB5C12D18 (1)
Weight, g/mol:	327.04048
ΔH_f, kcal/mol:	54.44
Dipole, Da:	5.28
IP(EA), eV:	-8.87(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)N(C)CCN1C2=C(C=C(C=N2)Br)N=C1N

DOS

IR

Vibrations