Geometry & MOs

Info

ID:	198257
PubChem CID:	79075983
Reduced:	BrClN3C13H17 (1)
Stoich.:	ABC3D13E17 (1)
Weight, g/mol:	248.082874
ΔH_f, kcal/mol:	14.87
Dipole, Da:	3.51
IP(EA), eV:	-9.33(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-5-methyl-N-(2-pyridin-4-ylethyl)pyrimidin-4-amine

Drug info:

PubChemData

Smile

C1CCC2CN(CCC2C1)C3=NC(=NC=C3Br)Cl

DOS

IR

Vibrations