Geometry & MOs

Info

ID:	284813
PubChem CID:	104072305
Reduced:	SO3C9H10 (1)
Stoich.:	AB3C9D10 (1)
Weight, g/mol:	262.098524
ΔH_f, kcal/mol:	-58.15
Dipole, Da:	3.61
IP(EA), eV:	-9.35(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-chloro-4-N-[1-(2-methylphenyl)ethyl]pyrimidine-4,6-diamine

Drug info:

PubChemData

Smile

C1C(CO1)SCC2=CC=C(O2)C=O

DOS

IR

Vibrations