Geometry & MOs

Info

ID:	288252
PubChem CID:	104314398
Reduced:	Br2N4C11H12 (1)
Stoich.:	A2B4C11D12 (1)
Weight, g/mol:	331.93467
ΔH_f, kcal/mol:	66.96
Dipole, Da:	4.95
IP(EA), eV:	-9.02(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3,5-dibromopyridin-2-yl)hex-5-yn-1-amine

Drug info:

PubChemData

Smile

CN1C=CN=C1CC(C2=C(C=C(C=N2)Br)Br)N

DOS

IR

Vibrations