Geometry & MOs

Info

ID:	85833
PubChem CID:	49879622
Reduced:	ClSO2N3C13H13 (1)
Stoich.:	ABC2D3E13F13 (1)
Weight, g/mol:	248.09545
ΔH_f, kcal/mol:	-15.24
Dipole, Da:	12.58
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.960264
Charge, e:	-1

Chem-info

IUPAC name:

2,6-dimethyl-N-(2-methylphenyl)pyrimidin-4-amine;chloride

Drug info:

PubChemData

Smile

CC1=CC(=NC(=N1)SC)NC2=CC=CC(=C2)C(=O)O.[Cl-]

DOS

IR

Vibrations