Geometry & MOs

Info

ID:	287416
PubChem CID:	104241627
Reduced:	BrClFN2H15C16 (1)
Stoich.:	ABCD2E15F16 (1)
Weight, g/mol:	259.97159
ΔH_f, kcal/mol:	-6.45
Dipole, Da:	0.44
IP(EA), eV:	-9.7(-1.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-4-chloro-6-cyclopentylpyrimidine

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1)F)C2=NC(=C(C(=N2)Cl)Br)C3CCCC3

DOS

IR

Vibrations