Geometry & MOs

Info

ID:	125827
PubChem CID:	50940891
Reduced:	O2N3H17C18 (1)
Stoich.:	A2B3C17D18 (1)
Weight, g/mol:	339.08639
ΔH_f, kcal/mol:	3.49
Dipole, Da:	2.21
IP(EA), eV:	-8.69(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,6-bis(4-methylsulfanylphenyl)pyrimidin-4-amine

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C2=CC(=NC(=N2)C3=CC=C(C=C3)OC)N

DOS

IR

Vibrations