Geometry & MOs

Info

ID:	267657
PubChem CID:	103583168
Reduced:	BrClN2C12H16 (1)
Stoich.:	ABC2D12E16 (1)
Weight, g/mol:	327.97782
ΔH_f, kcal/mol:	7.85
Dipole, Da:	2.05
IP(EA), eV:	-8.79(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-3-chloro-N-[(4-fluorophenyl)methyl]-N-methylpyridin-2-amine

Drug info:

PubChemData

Smile

CCC1CCCN(C1)C2=C(C=C(C=N2)Br)Cl

DOS

IR

Vibrations