Geometry & MOs

Info

ID:	287417
PubChem CID:	104241654
Reduced:	BrClN2C9H10 (1)
Stoich.:	ABC2D9E10 (1)
Weight, g/mol:	329.02944
ΔH_f, kcal/mol:	27.51
Dipole, Da:	2.4
IP(EA), eV:	-10.22(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-4-chloro-6-cyclopentyl-2-pyrrolidin-1-ylpyrimidine

Drug info:

PubChemData

Smile

C1CCC(C1)C2=C(C(=NC=N2)Cl)Br

DOS

IR

Vibrations