Geometry & MOs

Info

ID:	210176
PubChem CID:	80769203
Reduced:	Cl2N6C13H16 (1)
Stoich.:	A2B6C13D16 (1)
Weight, g/mol:	342.047273
ΔH_f, kcal/mol:	49.26
Dipole, Da:	5.11
IP(EA), eV:	-8.74(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-N-(3,4-dichlorophenyl)-2-methylsulfanyl-6-N-propylpyrimidine-4,6-diamine

Drug info:

PubChemData

Smile

CCNC1=NC(=NC(=N1)N(C)C)NC2=CC(=C(C=C2)Cl)Cl

DOS

IR

Vibrations