Geometry & MOs

Info

ID:

88673

PubChem CID:

49956046

Reduced:

BrClNOC8H14 (1)

Stoich.:

ABCDE8F14 (1)

Weight, g/mol:

276.98556

ΔHf, kcal/mol:

-47.1

Dipole, Da:

4.94

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.761567

Charge, e:

 -1

Chem-info

IUPAC name:

5-bromo-2-piperazin-1-ylpyrimidine;chloride

Drug info:

PubChemData

Smile

C1CNCCC12CC(CO2)Br.[Cl-]

DOS

IR

Vibrations