Geometry & MOs

Info

ID:	266896
PubChem CID:	103579930
Reduced:	BrClN4C11H12 (1)
Stoich.:	ABC4D11E12 (1)
Weight, g/mol:	353.00429
ΔH_f, kcal/mol:	59.35
Dipole, Da:	3.45
IP(EA), eV:	-8.98(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-(5-bromo-3-chloropyridin-2-yl)piperazin-1-yl]pyrimidine

Drug info:

PubChemData

Smile

C1=CN(C=N1)CCCNC2=C(C=C(C=N2)Br)Cl

DOS

IR

Vibrations