Geometry & MOs

Info

ID:	85927
PubChem CID:	49880302
Reduced:	ClN3C12H19 (1)
Stoich.:	AB3C12D19 (1)
Weight, g/mol:	262.1111
ΔH_f, kcal/mol:	23.04
Dipole, Da:	1.31
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.750338
Charge, e:	-1

Chem-info

IUPAC name:

N-(2,4-dimethylphenyl)-4,6-dimethylpyrimidin-2-amine;chloride

Drug info:

PubChemData

Smile

CC1=CC(=NC(=N1)NC2CCCCC2)C.[Cl-]

DOS

IR

Vibrations