Geometry & MOs

Info

ID:	208915
PubChem CID:	80603559
Reduced:	BrClN2C15H20 (1)
Stoich.:	ABC2D15E20 (1)
Weight, g/mol:	406.06727
ΔH_f, kcal/mol:	26.63
Dipole, Da:	2.27
IP(EA), eV:	-9.96(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-2-cyclooctyl-5-iodo-6-(2-methylpropyl)pyrimidine

Drug info:

PubChemData

Smile

C1CCCC(CCC1)C2=NC(=C(C(=N2)Cl)Br)C3CC3

DOS

IR

Vibrations