Geometry & MOs

Info

ID:	248681
PubChem CID:	103083569
Reduced:	BrClN2H12C13 (1)
Stoich.:	ABC2D12E13 (1)
Weight, g/mol:	417.927
ΔH_f, kcal/mol:	40.27
Dipole, Da:	4.22
IP(EA), eV:	-9.52(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-2-(4-bromo-2-methylphenyl)-4-chloro-6-(2-methylpropyl)pyrimidine

Drug info:

PubChemData

Smile

CCC1=CC(=NC(=N1)C2=C(C=C(C=C2)Br)C)Cl

DOS

IR

Vibrations