Geometry & MOs

Info

ID:	248683
PubChem CID:	103083599
Reduced:	BrClIN2C15H15 (1)
Stoich.:	ABCD2E15F15 (1)
Weight, g/mol:	383.97957
ΔH_f, kcal/mol:	50.54
Dipole, Da:	3.77
IP(EA), eV:	-9.52(-1.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-bromo-2-methylphenyl)-4,6-dichloro-5-cyclopentylpyrimidine

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations