Geometry & MOs

Info

ID:	210080
PubChem CID:	80759649
Reduced:	Cl2N6C11H12 (1)
Stoich.:	A2B6C11D12 (1)
Weight, g/mol:	328.031623
ΔH_f, kcal/mol:	55.14
Dipole, Da:	3.43
IP(EA), eV:	-8.89(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-N-(2,4-dichlorophenyl)-6-N-ethyl-2-methylsulfanylpyrimidine-4,6-diamine

Drug info:

PubChemData

Smile

CN(C)C1=NC(=NC(=N1)NC2=C(C=C(C=C2)Cl)Cl)N

DOS

IR

Vibrations