Geometry & MOs

Info

ID:	267424
PubChem CID:	103582179
Reduced:	BrClN3C14H15 (1)
Stoich.:	ABC3D14E15 (1)
Weight, g/mol:	346.05599
ΔH_f, kcal/mol:	52.94
Dipole, Da:	2.81
IP(EA), eV:	-8.99(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-(5-bromo-3-chloropyridin-2-yl)-1,4-diazepan-1-yl]propan-1-amine

Drug info:

PubChemData

Smile

CN(CC1=CC=CC(=C1)CN)C2=C(C=C(C=N2)Br)Cl

DOS

IR

Vibrations