Geometry & MOs

Info

ID:	374210
PubChem CID:	131325500
Reduced:	SN3C9H9 (1)
Stoich.:	AB3C9D9 (1)
Weight, g/mol:	276.00289
ΔH_f, kcal/mol:	81.0
Dipole, Da:	1.04
IP(EA), eV:	-9.42(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(6-bromo-4-chloropyridin-3-yl)-3-methylbutan-1-amine

Drug info:

PubChemData

Smile

C=CC(C1=CC2=NC=CN=C2S1)N

DOS

IR

Vibrations