Geometry & MOs

Info

ID:	267426
PubChem CID:	103582181
Reduced:	BrClN4C11H16 (1)
Stoich.:	ABC4D11E16 (1)
Weight, g/mol:	360.07164
ΔH_f, kcal/mol:	35.25
Dipole, Da:	3.12
IP(EA), eV:	-8.47(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CN(CCN1CCN)C2=C(C=C(C=N2)Br)Cl

DOS

IR

Vibrations