Geometry & MOs

Info

ID:	267436
PubChem CID:	103582210
Reduced:	BrClN3C11H15 (1)
Stoich.:	ABC3D11E15 (1)
Weight, g/mol:	316.99305
ΔH_f, kcal/mol:	23.86
Dipole, Da:	4.17
IP(EA), eV:	-8.5(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(5-bromo-3-chloropyridin-2-yl)-(2-methoxyethyl)amino]propanenitrile

Drug info:

PubChemData

Smile

C1CN(CCC1CN)C2=C(C=C(C=N2)Br)Cl

DOS

IR

Vibrations