Geometry & MOs

Info

ID:	267481
PubChem CID:	103582351
Reduced:	BrClN2C10H14 (1)
Stoich.:	ABC2D10E14 (1)
Weight, g/mol:	327.97782
ΔH_f, kcal/mol:	0.47
Dipole, Da:	2.97
IP(EA), eV:	-8.7(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-3-chloro-N-[2-(4-fluorophenyl)ethyl]pyridin-2-amine

Drug info:

PubChemData

Smile

CCCC(C)NC1=C(C=C(C=N1)Br)Cl

DOS

IR

Vibrations