Geometry & MOs

Info

ID:	267429
PubChem CID:	103582192
Reduced:	BrClN3C14H15 (1)
Stoich.:	ABC3D14E15 (1)
Weight, g/mol:	353.02944
ΔH_f, kcal/mol:	43.79
Dipole, Da:	3.05
IP(EA), eV:	-8.74(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[2-(aminomethyl)phenyl]methyl]-5-bromo-3-chloro-N-ethylpyridin-2-amine

Drug info:

PubChemData

Smile

CC(C1=CC=C(C=C1)CN)NC2=C(C=C(C=N2)Br)Cl

DOS

IR

Vibrations