Geometry & MOs

Info

ID:	210264
PubChem CID:	80782179
Reduced:	ClSN4C11H13 (1)
Stoich.:	ABC4D11E13 (1)
Weight, g/mol:	240.140868
ΔH_f, kcal/mol:	64.33
Dipole, Da:	3.08
IP(EA), eV:	-8.54(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-N-(4-methylpentan-2-yl)-2-methylsulfanylpyrimidine-4,6-diamine

Drug info:

PubChemData

Smile

CNC1=NC=C(C(=N1)N(C)CC2=CC=CS2)Cl

DOS

IR

Vibrations