Geometry & MOs

Info

ID:	287420
PubChem CID:	104241657
Reduced:	BrClN3C15H21 (1)
Stoich.:	ABC3D15E21 (1)
Weight, g/mol:	405.89062
ΔH_f, kcal/mol:	9.18
Dipole, Da:	4.66
IP(EA), eV:	-8.69(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-2-(5-bromofuran-2-yl)-4-chloro-6-cyclopentylpyrimidine

Drug info:

PubChemData

Smile

C1CCCN(CC1)C2=NC(=C(C(=N2)Cl)Br)C3CCCC3

DOS

IR

Vibrations