Geometry & MOs

Info

ID:	287418
PubChem CID:	104241655
Reduced:	BrClN3C13H17 (1)
Stoich.:	ABC3D13E17 (1)
Weight, g/mol:	303.01379
ΔH_f, kcal/mol:	17.94
Dipole, Da:	4.34
IP(EA), eV:	-8.79(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-4-chloro-6-cyclopentyl-N,N-dimethylpyrimidin-2-amine

Drug info:

PubChemData

Smile

C1CCC(C1)C2=C(C(=NC(=N2)N3CCCC3)Cl)Br

DOS

IR

Vibrations