Geometry & MOs

Info

ID:	267438
PubChem CID:	103582225
Reduced:	BrClN4C13H16 (1)
Stoich.:	ABC4D13E16 (1)
Weight, g/mol:	338.95742
ΔH_f, kcal/mol:	52.17
Dipole, Da:	3.16
IP(EA), eV:	-8.85(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[(5-bromo-3-chloropyridin-2-yl)amino]methyl]-3-fluorobenzonitrile

Drug info:

PubChemData

Smile

CC(C)(C#N)N1CCN(CC1)C2=C(C=C(C=N2)Br)Cl

DOS

IR

Vibrations