Geometry & MOs

Info

ID:	267498
PubChem CID:	103582394
Reduced:	BrClN3C11H15 (1)
Stoich.:	ABC3D11E15 (1)
Weight, g/mol:	309.98724
ΔH_f, kcal/mol:	21.95
Dipole, Da:	2.54
IP(EA), eV:	-8.75(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-3-chloro-N-[(3-methylphenyl)methyl]pyridin-2-amine

Drug info:

PubChemData

Smile

CN1CCC(C1)CNC2=C(C=C(C=N2)Br)Cl

DOS

IR

Vibrations