Geometry & MOs

Info

ID:	267421
PubChem CID:	103582176
Reduced:	BrClN3C11H15 (1)
Stoich.:	ABC3D11E15 (1)
Weight, g/mol:	345.06074
ΔH_f, kcal/mol:	44.49
Dipole, Da:	2.24
IP(EA), eV:	-8.55(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-(5-bromo-3-chloropyridin-2-yl)-N'-cyclohexylpropane-1,3-diamine

Drug info:

PubChemData

Smile

C1CC1N(CCCN)C2=C(C=C(C=N2)Br)Cl

DOS

IR

Vibrations