Geometry & MOs

Info

ID:	267503
PubChem CID:	103582412
Reduced:	BrClN3C14H19 (1)
Stoich.:	ABC3D14E19 (1)
Weight, g/mol:	331.04509
ΔH_f, kcal/mol:	16.02
Dipole, Da:	3.13
IP(EA), eV:	-8.65(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(azepan-1-yl)ethyl]-5-bromo-3-chloropyridin-2-amine

Drug info:

PubChemData

Smile

CN1C2CCC1CC(C2)CNC3=C(C=C(C=N3)Br)Cl

DOS

IR

Vibrations