Geometry & MOs

Info

ID:	267428
PubChem CID:	103582185
Reduced:	BrClN4C13H20 (1)
Stoich.:	ABC4D13E20 (1)
Weight, g/mol:	339.01379
ΔH_f, kcal/mol:	24.15
Dipole, Da:	2.16
IP(EA), eV:	-8.56(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-[4-(aminomethyl)phenyl]ethyl]-5-bromo-3-chloropyridin-2-amine

Drug info:

PubChemData

Smile

CC(CN)CN1CCN(CC1)C2=C(C=C(C=N2)Br)Cl

DOS

IR

Vibrations