Geometry & MOs

Info

ID:	267471
PubChem CID:	103582336
Reduced:	BrClN4C12H18 (1)
Stoich.:	ABC4D12E18 (1)
Weight, g/mol:	352.00904
ΔH_f, kcal/mol:	28.87
Dipole, Da:	2.66
IP(EA), eV:	-9.01(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[(5-bromo-3-chloropyridin-2-yl)-methylamino]methyl]benzenecarboximidamide

Drug info:

PubChemData

Smile

CC(C)CN(CCC(=N)N)C1=C(C=C(C=N1)Br)Cl

DOS

IR

Vibrations