Geometry & MOs

Info

ID:	267433
PubChem CID:	103582207
Reduced:	BrClN4C13H20 (1)
Stoich.:	ABC4D13E20 (1)
Weight, g/mol:	342.98872
ΔH_f, kcal/mol:	24.87
Dipole, Da:	2.29
IP(EA), eV:	-8.68(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[4-(aminomethyl)-2-fluorophenyl]methyl]-5-bromo-3-chloropyridin-2-amine

Drug info:

PubChemData

Smile

CC(C)(CN)N1CCN(CC1)C2=C(C=C(C=N2)Br)Cl

DOS

IR

Vibrations