Geometry & MOs

Info

ID:	85834
PubChem CID:	49879661
Reduced:	ClN3C13H15 (1)
Stoich.:	AB3C13D15 (1)
Weight, g/mol:	234.0798
ΔH_f, kcal/mol:	35.65
Dipole, Da:	2.85
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.081427
Charge, e:	-1

Chem-info

IUPAC name:

6-methyl-N-(4-methylphenyl)pyrimidin-4-amine;chloride

Drug info:

PubChemData

Smile

CC1=CC=CC=C1NC2=NC(=NC(=C2)C)C.[Cl-]

DOS

IR

Vibrations