Geometry & MOs

Info

ID:	248680
PubChem CID:	103083565
Reduced:	BrClN2H12C17 (1)
Stoich.:	ABC2D12E17 (1)
Weight, g/mol:	309.98724
ΔH_f, kcal/mol:	79.43
Dipole, Da:	4.3
IP(EA), eV:	-9.57(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-bromo-2-methylphenyl)-4-chloro-6-ethylpyrimidine

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)Br)C2=NC(=CC(=N2)Cl)C3=CC=CC=C3

DOS

IR

Vibrations